N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine

C13H18N4 — CID 20786175

IUPACN-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)CNc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C13H18N4/c1-13(2,3)9-14-12-15-11(16-17-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyUEWVFWZNVRICLJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.93
Rot. Bonds3

About N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine

N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine (PubChem CID 20786175) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine
PubChem CID20786175
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)CNc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C13H18N4/c1-13(2,3)9-14-12-15-11(16-17-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyUEWVFWZNVRICLJ-UHFFFAOYSA-N
XLogP2.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine (CID 20786175) is N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine is CC(C)(C)CNc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The InChIKey is UEWVFWZNVRICLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,3)9-14-12-15-11(16-17-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 20786175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).