N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C17H24N4O2 — CID 111448019

IUPACN-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCC(C)CC(C)O)c2C)cc1
InChIInChI=1S/C17H24N4O2/c1-11-5-7-15(8-6-11)21-14(4)16(19-20-21)17(23)18-10-12(2)9-13(3)22/h5-8,12-13,22H,9-10H2,1-4H3,(H,18,23)
InChIKeyGUQWMNWPXBLVNA-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.02
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 111448019) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID111448019
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCC(C)CC(C)O)c2C)cc1
InChIInChI=1S/C17H24N4O2/c1-11-5-7-15(8-6-11)21-14(4)16(19-20-21)17(23)18-10-12(2)9-13(3)22/h5-8,12-13,22H,9-10H2,1-4H3,(H,18,23)
InChIKeyGUQWMNWPXBLVNA-UHFFFAOYSA-N
XLogP2.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
CID 119253620
3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
(2R)-2-(4-fluorophenoxy)-3-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]propanoic acid
CID 97337600
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-methyltriazole-4-carboxamide
CID 46858303
7-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]heptanoic acid
CID 119227588
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
5-methyl-N-[2-(methylamino)propyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120831805
N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86819205
N-(3-amino-2-methylpropyl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119996110

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 111448019) is N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NCC(C)CC(C)O)c2C)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is GUQWMNWPXBLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-5-7-15(8-6-11)21-14(4)16(19-20-21)17(23)18-10-12(2)9-13(3)22/h5-8,12-13,22H,9-10H2,1-4H3,(H,18,23).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 111448019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).