3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C11H17N7O — CID 137214433

IUPAC3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCCNc1ncc(CNCc2n[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C11H17N7O/c1-2-3-13-10-14-5-8(6-15-10)4-12-7-9-16-11(19)18-17-9/h5-6,12H,2-4,7H2,1H3,(H,13,14,15)(H2,16,17,18,19)
InChIKeyBBRCMRHSHOYZGA-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.00
Rot. Bonds7

About 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137214433) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137214433
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCCNc1ncc(CNCc2n[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C11H17N7O/c1-2-3-13-10-14-5-8(6-15-10)4-12-7-9-16-11(19)18-17-9/h5-6,12H,2-4,7H2,1H3,(H,13,14,15)(H2,16,17,18,19)
InChIKeyBBRCMRHSHOYZGA-UHFFFAOYSA-N
XLogP-0.00
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Related Compounds

N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine
CID 102536371
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
CID 102536413
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 102536401
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
3-[[2-(ethylamino)pyrimidin-5-yl]methylamino]propanoic acid
CID 102536297
3-[[[3-(5-methylfuran-2-yl)phenyl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137210298
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258
5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine
CID 102536280
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
[2-(propylamino)pyrimidin-5-yl]boronic acid
CID 166595107
[2-(propylamino)pyrimidin-5-yl] hydrogen carbonate
CID 66617038

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137214433) is 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is CCCNc1ncc(CNCc2n[nH]c(=O)[nH]2)cn1.
What is the InChIKey of 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is BBRCMRHSHOYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-2-3-13-10-14-5-8(6-15-10)4-12-7-9-16-11(19)18-17-9/h5-6,12H,2-4,7H2,1H3,(H,13,14,15)(H2,16,17,18,19).
What are the key properties of 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 263.30 g/mol, XLogP of -0.00, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(propylamino)pyrimidin-5-yl]methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137214433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).