N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C15H18N4O2 — CID 110021591

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)NCC(O)C3CC3)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-19-9-17-14(18-19)11-4-6-12(7-5-11)15(21)16-8-13(20)10-2-3-10/h4-7,9-10,13,20H,2-3,8H2,1H3,(H,16,21)
InChIKeyIPXOBFOBMQJCAQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.98
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 110021591) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID110021591
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)NCC(O)C3CC3)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-19-9-17-14(18-19)11-4-6-12(7-5-11)15(21)16-8-13(20)10-2-3-10/h4-7,9-10,13,20H,2-3,8H2,1H3,(H,16,21)
InChIKeyIPXOBFOBMQJCAQ-UHFFFAOYSA-N
XLogP0.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020251
N-(2-hydroxy-2-pyridin-4-ylethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021673
N-[2-hydroxy-2-(3-methylphenyl)ethyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021549
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021729
N-(2-cyclopropyl-2-hydroxyethyl)furan-3-carboxamide
CID 63294562
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
CID 63294587
N-(2,2-diethyl-4-hydroxybutyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021503

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 110021591) is N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cn1cnc(-c2ccc(C(=O)NCC(O)C3CC3)cc2)n1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is IPXOBFOBMQJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-9-17-14(18-19)11-4-6-12(7-5-11)15(21)16-8-13(20)10-2-3-10/h4-7,9-10,13,20H,2-3,8H2,1H3,(H,16,21).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 286.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 110021591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).