2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one

C7H11N5O — CID 67783237

IUPAC2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2NN(CN)C=C2N1
InChIInChI=1S/C7H11N5O/c1-5-2-7(13)12-6(9-5)3-11(4-8)10-12/h2-3,9-10H,4,8H2,1H3
InChIKeyCJLPGKFDGXJHSW-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.23
Rot. Bonds1

About 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one

2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one (PubChem CID 67783237) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one
PubChem CID67783237
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2NN(CN)C=C2N1
InChIInChI=1S/C7H11N5O/c1-5-2-7(13)12-6(9-5)3-11(4-8)10-12/h2-3,9-10H,4,8H2,1H3
InChIKeyCJLPGKFDGXJHSW-UHFFFAOYSA-N
XLogP-1.23
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one (CID 67783237) is 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one is CC1=CC(=O)N2NN(CN)C=C2N1.
What is the InChIKey of 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CJLPGKFDGXJHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-5-2-7(13)12-6(9-5)3-11(4-8)10-12/h2-3,9-10H,4,8H2,1H3.
What are the key properties of 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one?
2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one has a molecular weight of 181.20 g/mol, XLogP of -1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-1,4-dihydrotriazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 67783237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).