N-(benzylideneamino)-2H-triazol-4-amine

C9H9N5 — CID 151542634

IUPACN-(benzylideneamino)-2H-triazol-4-amine
SMILESC(=NNc1cn[nH]n1)c1ccccc1
InChIInChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-12-9-7-11-14-13-9/h1-7H,(H2,11,12,13,14)
InChIKeyPYUKZTCEQGHHDH-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.25
Rot. Bonds3

About N-(benzylideneamino)-2H-triazol-4-amine

N-(benzylideneamino)-2H-triazol-4-amine (PubChem CID 151542634) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(benzylideneamino)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-2H-triazol-4-amine
PubChem CID151542634
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC NameN-(benzylideneamino)-2H-triazol-4-amine
SMILESC(=NNc1cn[nH]n1)c1ccccc1
InChIInChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-12-9-7-11-14-13-9/h1-7H,(H2,11,12,13,14)
InChIKeyPYUKZTCEQGHHDH-UHFFFAOYSA-N
XLogP1.25
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2H-triazol-4-amine?
The IUPAC name of N-(benzylideneamino)-2H-triazol-4-amine (CID 151542634) is N-(benzylideneamino)-2H-triazol-4-amine.
What is the SMILES notation for N-(benzylideneamino)-2H-triazol-4-amine?
The canonical SMILES for N-(benzylideneamino)-2H-triazol-4-amine is C(=NNc1cn[nH]n1)c1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2H-triazol-4-amine?
The InChIKey is PYUKZTCEQGHHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-2-4-8(5-3-1)6-10-12-9-7-11-14-13-9/h1-7H,(H2,11,12,13,14).
What are the key properties of N-(benzylideneamino)-2H-triazol-4-amine?
N-(benzylideneamino)-2H-triazol-4-amine has a molecular weight of 187.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2H-triazol-4-amine is sourced from PubChem (CID 151542634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).