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

C10H19N5O — CID 62806656

IUPAC3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H19N5O/c1-6(2)4-5-7(3)12-9(16)8-13-10(11)15-14-8/h6-7H,4-5H2,1-3H3,(H,12,16)(H3,11,13,14,15)
InChIKeyGCTCYWDZYOMUQI-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.94
Rot. Bonds5

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

3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806656) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806656
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H19N5O/c1-6(2)4-5-7(3)12-9(16)8-13-10(11)15-14-8/h6-7H,4-5H2,1-3H3,(H,12,16)(H3,11,13,14,15)
InChIKeyGCTCYWDZYOMUQI-UHFFFAOYSA-N
XLogP0.94
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-1H-1,2,4-triazole-5-carboxamide
CID 1871672
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 44280876
3-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 51349435
N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
1H-[1,2,4]Triazole-3-carboxylic acid (4-methylcyclohexyl)amide
CID 1250680
N-Cyclododecyl-1H-1,2,4-triazole-3-carboxamide
CID 602855
N-methyl-3-(piperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide hydrochloride
CID 132308932
(4S)-4-(acetylamino)-4-(3-isobutyl-1H-1,2,4-triazol-5-yl)butanamide
CID 50967257
N-[(1S)-2-methyl-1-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]propyl]acetamide
CID 95136384
1H-[1,2,4]Triazole-3-carboxylic acid (2,2,6,6-tetramethylpiperidin-4-yl)amide
CID 707222
N-cycloheptyl-1H-1,2,4-triazole-3-carboxamide
CID 1500057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62806656) is 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide is CC(C)CCC(C)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GCTCYWDZYOMUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(2)4-5-7(3)12-9(16)8-13-10(11)15-14-8/h6-7H,4-5H2,1-3H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methylhexan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).