6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine

C21H18N6 — CID 156539691

IUPAC6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine
SMILESCNc1nc(N=C(c2ccccc2)c2ccccc2)ccc1-n1nccn1
InChIInChI=1S/C21H18N6/c1-22-21-18(27-23-14-15-24-27)12-13-19(26-21)25-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3,(H,22,26)
InChIKeyMSYOOEVCJXZGBS-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.87
Rot. Bonds5

About 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine

6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine (PubChem CID 156539691) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine
PubChem CID156539691
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine
SMILESCNc1nc(N=C(c2ccccc2)c2ccccc2)ccc1-n1nccn1
InChIInChI=1S/C21H18N6/c1-22-21-18(27-23-14-15-24-27)12-13-19(26-21)25-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3,(H,22,26)
InChIKeyMSYOOEVCJXZGBS-UHFFFAOYSA-N
XLogP3.87
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine?
The IUPAC name of 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine (CID 156539691) is 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine?
The canonical SMILES for 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine is CNc1nc(N=C(c2ccccc2)c2ccccc2)ccc1-n1nccn1.
What is the InChIKey of 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine?
The InChIKey is MSYOOEVCJXZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-22-21-18(27-23-14-15-24-27)12-13-19(26-21)25-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3,(H,22,26).
What are the key properties of 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine?
6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine has a molecular weight of 354.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzhydrylideneamino)-N-methyl-3-(triazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 156539691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).