5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine

C11H14N4 — CID 84670782

IUPAC5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C11H14N4/c1-8(2)15-11(12)13-10(14-15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,13,14)
InChIKeyUZSIBEZRSRHNBR-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.11
Rot. Bonds2

About 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine

5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 84670782) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID84670782
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1nc(-c2ccccc2)nc1N
InChIInChI=1S/C11H14N4/c1-8(2)15-11(12)13-10(14-15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,13,14)
InChIKeyUZSIBEZRSRHNBR-UHFFFAOYSA-N
XLogP2.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine (CID 84670782) is 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1nc(-c2ccccc2)nc1N.
What is the InChIKey of 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is UZSIBEZRSRHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(2)15-11(12)13-10(14-15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,13,14).
What are the key properties of 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine?
5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 84670782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).