N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide

C14H18N4O2 — CID 115771807

IUPACN-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-2-17(9-6-10-19)14(20)13-11-15-18(16-13)12-7-4-3-5-8-12/h3-5,7-8,11,19H,2,6,9-10H2,1H3
InChIKeyJWHDQEAOJNVHPF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.11
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide

N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide (PubChem CID 115771807) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
PubChem CID115771807
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-2-17(9-6-10-19)14(20)13-11-15-18(16-13)12-7-4-3-5-8-12/h3-5,7-8,11,19H,2,6,9-10H2,1H3
InChIKeyJWHDQEAOJNVHPF-UHFFFAOYSA-N
XLogP1.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Dimethyl-1-phenyl-1H-1,2,3-triazole-4-carboxamide
CID 10656354
N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
CID 8891778
N-(2-(6-oxopyridazin-1(6H)-yl)ethyl)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
CID 45502024
Azetidin-1-yl-(2-phenyltriazol-4-yl)methanone
CID 17462099
N-butan-2-yl-2-phenyltriazole-4-carboxamide
CID 42916175
N-cyclopropyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
CID 45828624
N-cyclohexyl-N,2-diphenyltriazole-4-carboxamide
CID 47068927
N-(2-amino-2-oxoethyl)-N-methyl-2-phenyltriazole-4-carboxamide
CID 53502587
4-(hydroxymethyl)-1-[(1-phenyl-1H-1,2,3-triazol-5-yl)carbonyl]piperidin-4-ol
CID 56760392
[(2S)-2-ethylmorpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 93610459
[(4S)-4-methylazepan-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95138870
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide (CID 115771807) is N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide is CCN(CCCO)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is JWHDQEAOJNVHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-17(9-6-10-19)14(20)13-11-15-18(16-13)12-7-4-3-5-8-12/h3-5,7-8,11,19H,2,6,9-10H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 115771807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).