3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C10H17N5O2 — CID 62793023

IUPAC3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H17N5O2/c1-15(6-7-4-2-3-5-17-7)9(16)8-12-10(11)14-13-8/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyJXDSIFYJMJWMLV-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.03
Rot. Bonds3

About 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793023) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793023
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H17N5O2/c1-15(6-7-4-2-3-5-17-7)9(16)8-12-10(11)14-13-8/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyJXDSIFYJMJWMLV-UHFFFAOYSA-N
XLogP0.03
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62793023) is 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is CN(CC1CCCCO1)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JXDSIFYJMJWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15(6-7-4-2-3-5-17-7)9(16)8-12-10(11)14-13-8/h7H,2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).