N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide

C6H9N5O2 — CID 130670032

IUPACN-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC(N)=O
InChIInChI=1S/C6H9N5O2/c1-3-5(10-11-9-3)6(13)8-2-4(7)12/h2H2,1H3,(H2,7,12)(H,8,13)(H,9,10,11)
InChIKeyMJWNAJYSWBTPKU-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.67
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide

N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide (PubChem CID 130670032) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide
PubChem CID130670032
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC NameN-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NCC(N)=O
InChIInChI=1S/C6H9N5O2/c1-3-5(10-11-9-3)6(13)8-2-4(7)12/h2H2,1H3,(H2,7,12)(H,8,13)(H,9,10,11)
InChIKeyMJWNAJYSWBTPKU-UHFFFAOYSA-N
XLogP-1.67
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide (CID 130670032) is N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is MJWNAJYSWBTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-3-5(10-11-9-3)6(13)8-2-4(7)12/h2H2,1H3,(H2,7,12)(H,8,13)(H,9,10,11).
What are the key properties of N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 130670032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).