N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

C13H24N4O2 — CID 107155419

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCC(O)CC(C)(C)C)n[nH]1
InChIInChI=1S/C13H24N4O2/c1-5-6-10-15-11(17-16-10)12(19)14-8-9(18)7-13(2,3)4/h9,18H,5-8H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeySVTLPBIUUCBKJL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds6

About N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107155419) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107155419
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCC(O)CC(C)(C)C)n[nH]1
InChIInChI=1S/C13H24N4O2/c1-5-6-10-15-11(17-16-10)12(19)14-8-9(18)7-13(2,3)4/h9,18H,5-8H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeySVTLPBIUUCBKJL-UHFFFAOYSA-N
XLogP1.28
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
4,4-dimethyl-2-[[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 107474244
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 115303347
N-[(2S)-2-hydroxypropyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 107858442
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 113476111
N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114186847
5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide
CID 114159090
3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81063659

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 107155419) is N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NCC(O)CC(C)(C)C)n[nH]1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is SVTLPBIUUCBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-6-10-15-11(17-16-10)12(19)14-8-9(18)7-13(2,3)4/h9,18H,5-8H2,1-4H3,(H,14,19)(H,15,16,17).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107155419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).