7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H20N6O — CID 115366008

IUPAC7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCC2(CN)CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H20N6O/c1-9-16-10(6-11-17-18-12(20)19(9)11)15-8-13(7-14)4-2-3-5-13/h6,15H,2-5,7-8,14H2,1H3,(H,18,20)
InChIKeyRZNLGVLYDQPXNI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.66
Rot. Bonds4

About 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 115366008) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID115366008
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCC2(CN)CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H20N6O/c1-9-16-10(6-11-17-18-12(20)19(9)11)15-8-13(7-14)4-2-3-5-13/h6,15H,2-5,7-8,14H2,1H3,(H,18,20)
InChIKeyRZNLGVLYDQPXNI-UHFFFAOYSA-N
XLogP0.66
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 115366008) is 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCC2(CN)CCCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is RZNLGVLYDQPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9-16-10(6-11-17-18-12(20)19(9)11)15-8-13(7-14)4-2-3-5-13/h6,15H,2-5,7-8,14H2,1H3,(H,18,20).
What are the key properties of 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 115366008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).