N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide

C12H14N4O2 — CID 47370046

IUPACN-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H14N4O2/c1-8(2)18-11-6-4-3-5-9(11)14-12(17)10-7-13-16-15-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyDDVCAJWEBIYHJQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.84
Rot. Bonds4

About N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide

N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 47370046) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
PubChem CID47370046
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H14N4O2/c1-8(2)18-11-6-4-3-5-9(11)14-12(17)10-7-13-16-15-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyDDVCAJWEBIYHJQ-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110693809
6-(diethylamino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109124332
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832112
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 61258324
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide (CID 47370046) is N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is DDVCAJWEBIYHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(2)18-11-6-4-3-5-9(11)14-12(17)10-7-13-16-15-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide?
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47370046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).