N-phenyl-2H-triazol-4-amine

C8H8N4 — CID 6401471

IUPACN-phenyl-2H-triazol-4-amine
SMILESc1ccc(Nc2cn[nH]n2)cc1
InChIInChI=1S/C8H8N4/c1-2-4-7(5-3-1)10-8-6-9-12-11-8/h1-6H,(H2,9,10,11,12)
InChIKeyRTRKPFNNSCTWSJ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.55
Rot. Bonds2

About N-phenyl-2H-triazol-4-amine

N-phenyl-2H-triazol-4-amine (PubChem CID 6401471) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is N-phenyl-2H-triazol-4-amine.

Molecular Properties

Compound NameN-phenyl-2H-triazol-4-amine
PubChem CID6401471
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC NameN-phenyl-2H-triazol-4-amine
SMILESc1ccc(Nc2cn[nH]n2)cc1
InChIInChI=1S/C8H8N4/c1-2-4-7(5-3-1)10-8-6-9-12-11-8/h1-6H,(H2,9,10,11,12)
InChIKeyRTRKPFNNSCTWSJ-UHFFFAOYSA-N
XLogP1.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2H-triazol-4-amine?
The IUPAC name of N-phenyl-2H-triazol-4-amine (CID 6401471) is N-phenyl-2H-triazol-4-amine.
What is the SMILES notation for N-phenyl-2H-triazol-4-amine?
The canonical SMILES for N-phenyl-2H-triazol-4-amine is c1ccc(Nc2cn[nH]n2)cc1.
What is the InChIKey of N-phenyl-2H-triazol-4-amine?
The InChIKey is RTRKPFNNSCTWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-4-7(5-3-1)10-8-6-9-12-11-8/h1-6H,(H2,9,10,11,12).
What are the key properties of N-phenyl-2H-triazol-4-amine?
N-phenyl-2H-triazol-4-amine has a molecular weight of 160.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2H-triazol-4-amine is sourced from PubChem (CID 6401471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).