5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide

C5H9N5O — CID 22716009

IUPAC5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(N)=O)nc1CN
InChIInChI=1S/C5H9N5O/c1-10-3(2-6)8-5(9-10)4(7)11/h2,6H2,1H3,(H2,7,11)
InChIKeyJVVZJHHKNAMINM-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.63
Rot. Bonds2

About 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide

5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 22716009) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID22716009
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(N)=O)nc1CN
InChIInChI=1S/C5H9N5O/c1-10-3(2-6)8-5(9-10)4(7)11/h2,6H2,1H3,(H2,7,11)
InChIKeyJVVZJHHKNAMINM-UHFFFAOYSA-N
XLogP-1.63
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864509
2-(3-Fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864546
2-Methyl-5-(trifluoromethyl)-1,2,4-triazole-3-carboxamide
CID 177049935

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide (CID 22716009) is 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide is Cn1nc(C(N)=O)nc1CN.
What is the InChIKey of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JVVZJHHKNAMINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-10-3(2-6)8-5(9-10)4(7)11/h2,6H2,1H3,(H2,7,11).
What are the key properties of 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide?
5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 22716009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).