3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide

C9H17N5O2 — CID 65049024

IUPAC3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOCC(NC(=O)c1nc(N)n[nH]1)C(C)C
InChIInChI=1S/C9H17N5O2/c1-5(2)6(4-16-3)11-8(15)7-12-9(10)14-13-7/h5-6H,4H2,1-3H3,(H,11,15)(H3,10,12,13,14)
InChIKeyVAJMINVAJWSIBP-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.21
Rot. Bonds5

About 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 65049024) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID65049024
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOCC(NC(=O)c1nc(N)n[nH]1)C(C)C
InChIInChI=1S/C9H17N5O2/c1-5(2)6(4-16-3)11-8(15)7-12-9(10)14-13-7/h5-6H,4H2,1-3H3,(H,11,15)(H3,10,12,13,14)
InChIKeyVAJMINVAJWSIBP-UHFFFAOYSA-N
XLogP-0.21
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1-methoxypropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807690
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 94599696
(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55115197
3-amino-N-methoxy-1H-1,2,4-triazole-5-carboxamide
CID 64974852
(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927256
3-amino-N-[(2S)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 94599693
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81380291
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81359186
3-amino-N-(5-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-5-carboxamide
CID 106161215
4-amino-2-(2-methoxyethylamino)-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667168
3-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398061
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 65049024) is 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide is COCC(NC(=O)c1nc(N)n[nH]1)C(C)C.
What is the InChIKey of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is VAJMINVAJWSIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-5(2)6(4-16-3)11-8(15)7-12-9(10)14-13-7/h5-6H,4H2,1-3H3,(H,11,15)(H3,10,12,13,14).
What are the key properties of 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 227.27 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methoxy-3-methylbutan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 65049024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).