4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C20H22N10O2 — CID 137099199

IUPAC4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(NCC4(Cn5ccnc5)CC4)nc23)[nH]1
InChIInChI=1S/C20H22N10O2/c31-16-14(25-19(32)27-16)7-12-8-23-30-15(12)26-17(28-18(30)24-13-1-2-13)22-9-20(3-4-20)10-29-6-5-21-11-29/h5-8,11,13,31H,1-4,9-10H2,(H,22,24,28)(H2,25,27,32)
InChIKeyMEJHNTVUPOOSEV-UHFFFAOYSA-N
MW434.46 g/mol
LogP-0.45
Rot. Bonds7

About 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137099199) has the molecular formula C20H22N10O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137099199
Molecular FormulaC20H22N10O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(NCC4(Cn5ccnc5)CC4)nc23)[nH]1
InChIInChI=1S/C20H22N10O2/c31-16-14(25-19(32)27-16)7-12-8-23-30-15(12)26-17(28-18(30)24-13-1-2-13)22-9-20(3-4-20)10-29-6-5-21-11-29/h5-8,11,13,31H,1-4,9-10H2,(H,22,24,28)(H2,25,27,32)
InChIKeyMEJHNTVUPOOSEV-UHFFFAOYSA-N
XLogP-0.45
TPSA154.17 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[(E)-[4-cyclopropylimino-2-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283352
4-[[4-cyclopropylimino-2-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163827031
4-[[4-cyclopropylimino-2-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137061426
4-[(E)-[2-[(3-chloro-4-fluorophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136602840
4-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexane-1-carboxamide
CID 137078420
4-[[4-cyclopropylimino-2-(3-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173493147
4-[[4-cyclopropylimino-2-(1-pyridin-2-ylpropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163621874
4-[[4-cyclopropylimino-2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163765153
4-[[2-[3-chloro-4-(1-hydroxyethyl)anilino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173493173
4-[[2-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137072247
4-[(E)-[4-cyclopropylimino-2-[1-(5-methyl-2-pyridinyl)propylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137289885
4-[[2-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;methane
CID 160997160

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137099199) is 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(NCC4(Cn5ccnc5)CC4)nc23)[nH]1.
What is the InChIKey of 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is MEJHNTVUPOOSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10O2/c31-16-14(25-19(32)27-16)7-12-8-23-30-15(12)26-17(28-18(30)24-13-1-2-13)22-9-20(3-4-20)10-29-6-5-21-11-29/h5-8,11,13,31H,1-4,9-10H2,(H,22,24,28)(H2,25,27,32).
What are the key properties of 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 434.46 g/mol, XLogP of -0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-cyclopropylimino-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137099199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).