N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide

C6H11N5O — CID 67744996

IUPACN-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)NCCN
InChIInChI=1S/C6H11N5O/c1-11-5(9-4-10-11)6(12)8-3-2-7/h4H,2-3,7H2,1H3,(H,8,12)
InChIKeyOFFHKORZEYANFB-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.50
Rot. Bonds3

About N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide

N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 67744996) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID67744996
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC NameN-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)NCCN
InChIInChI=1S/C6H11N5O/c1-11-5(9-4-10-11)6(12)8-3-2-7/h4H,2-3,7H2,1H3,(H,8,12)
InChIKeyOFFHKORZEYANFB-UHFFFAOYSA-N
XLogP-1.50
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide (CID 67744996) is N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is OFFHKORZEYANFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-11-5(9-4-10-11)6(12)8-3-2-7/h4H,2-3,7H2,1H3,(H,8,12).
What are the key properties of N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide?
N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 169.19 g/mol, XLogP of -1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 67744996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).