5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide

C13H17N5O2 — CID 110485033

IUPAC5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)c2n[nH]nc2N)cc1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)20-9-6-4-8(5-7-9)15-12(19)10-11(14)17-18-16-10/h4-7H,1-3H3,(H,15,19)(H3,14,16,17,18)
InChIKeyOPINIEXYVNGUSZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.82
Rot. Bonds3

About 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide

5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 110485033) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID110485033
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)(C)Oc1ccc(NC(=O)c2n[nH]nc2N)cc1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)20-9-6-4-8(5-7-9)15-12(19)10-11(14)17-18-16-10/h4-7H,1-3H3,(H,15,19)(H3,14,16,17,18)
InChIKeyOPINIEXYVNGUSZ-UHFFFAOYSA-N
XLogP1.82
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-amino-2H-triazole-4-carbonyl)amino]benzoic acid
CID 110484878
5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 110484954
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687
5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide
CID 110484750

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide (CID 110485033) is 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide is CC(C)(C)Oc1ccc(NC(=O)c2n[nH]nc2N)cc1.
What is the InChIKey of 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is OPINIEXYVNGUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,3)20-9-6-4-8(5-7-9)15-12(19)10-11(14)17-18-16-10/h4-7H,1-3H3,(H,15,19)(H3,14,16,17,18).
What are the key properties of 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide?
5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 110485033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).