1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide

C19H20N4O2 — CID 136519436

IUPAC1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-14(2)25-17-11-7-6-8-15(17)12-20-19(24)18-21-13-23(22-18)16-9-4-3-5-10-16/h3-11,13-14H,12H2,1-2H3,(H,20,24)
InChIKeyGNQAFGUKZXZAAH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.98
Rot. Bonds6

About 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide

1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 136519436) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID136519436
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-14(2)25-17-11-7-6-8-15(17)12-20-19(24)18-21-13-23(22-18)16-9-4-3-5-10-16/h3-11,13-14H,12H2,1-2H3,(H,20,24)
InChIKeyGNQAFGUKZXZAAH-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 120536966
N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 139472699
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-benzyl-1-(4-chlorophenyl)-1,2,4-triazole-3-carboxamide
CID 15944303
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
N-[2-(2-methoxyethyl)phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166217474
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
1-tert-butyl-3-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazole-5-carboxamide
CID 55908630
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55931991
3-[(1-phenyl-1,2,4-triazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519981

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide (CID 136519436) is 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide is CC(C)Oc1ccccc1CNC(=O)c1ncn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GNQAFGUKZXZAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(2)25-17-11-7-6-8-15(17)12-20-19(24)18-21-13-23(22-18)16-9-4-3-5-10-16/h3-11,13-14H,12H2,1-2H3,(H,20,24).
What are the key properties of 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136519436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).