3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile

C18H21N9O2 — CID 123765322

IUPAC3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile
SMILESN#CCCN(c1nc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1)C1CC1
InChIInChI=1S/C18H21N9O2/c19-6-1-7-26(12-4-5-12)16-23-14-10(8-13-15(28)24-18(29)22-13)9-20-27(14)17(25-16)21-11-2-3-11/h9,11-12,18,29H,1-5,7-8H2,(H,24,28)(H,21,23,25)
InChIKeyOTPGSKGPAMWDRR-UHFFFAOYSA-N
MW395.43 g/mol
LogP-0.03
Rot. Bonds8

About 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile

3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile (PubChem CID 123765322) has the molecular formula C18H21N9O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile
PubChem CID123765322
Molecular FormulaC18H21N9O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile
SMILESN#CCCN(c1nc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1)C1CC1
InChIInChI=1S/C18H21N9O2/c19-6-1-7-26(12-4-5-12)16-23-14-10(8-13-15(28)24-18(29)22-13)9-20-27(14)17(25-16)21-11-2-3-11/h9,11-12,18,29H,1-5,7-8H2,(H,24,28)(H,21,23,25)
InChIKeyOTPGSKGPAMWDRR-UHFFFAOYSA-N
XLogP-0.03
TPSA143.83 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile (CID 123765322) is 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile is N#CCCN(c1nc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile?
The InChIKey is OTPGSKGPAMWDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9O2/c19-6-1-7-26(12-4-5-12)16-23-14-10(8-13-15(28)24-18(29)22-13)9-20-27(14)17(25-16)21-11-2-3-11/h9,11-12,18,29H,1-5,7-8H2,(H,24,28)(H,21,23,25).
What are the key properties of 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile?
3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile has a molecular weight of 395.43 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 123765322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).