N-butyl-N-methyl-2-phenyltriazole-4-carboxamide

C14H18N4O — CID 110702374

IUPACN-butyl-N-methyl-2-phenyltriazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-3-4-10-17(2)14(19)13-11-15-18(16-13)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPFQYGHUXNYGVLN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.14
Rot. Bonds5

About N-butyl-N-methyl-2-phenyltriazole-4-carboxamide

N-butyl-N-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 110702374) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-butyl-N-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-phenyltriazole-4-carboxamide
PubChem CID110702374
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-butyl-N-methyl-2-phenyltriazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-3-4-10-17(2)14(19)13-11-15-18(16-13)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPFQYGHUXNYGVLN-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51175226
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
CID 8891778
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
CID 51072889
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-phenyltriazole-4-carboxamide (CID 110702374) is N-butyl-N-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-phenyltriazole-4-carboxamide is CCCCN(C)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-butyl-N-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is PFQYGHUXNYGVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-4-10-17(2)14(19)13-11-15-18(16-13)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-phenyltriazole-4-carboxamide?
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 110702374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).