6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile

C15H14N8 — CID 133412520

IUPAC6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCNc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C15H14N8/c16-11-12-5-4-8-14(19-12)17-9-10-18-15-20-21-22-23(15)13-6-2-1-3-7-13/h1-8H,9-10H2,(H,17,19)(H,18,20,22)
InChIKeyYWKHSVDMAABRCC-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.45
Rot. Bonds6

About 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile

6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile (PubChem CID 133412520) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
PubChem CID133412520
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCNc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C15H14N8/c16-11-12-5-4-8-14(19-12)17-9-10-18-15-20-21-22-23(15)13-6-2-1-3-7-13/h1-8H,9-10H2,(H,17,19)(H,18,20,22)
InChIKeyYWKHSVDMAABRCC-UHFFFAOYSA-N
XLogP1.45
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile (CID 133412520) is 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCCNc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile?
The InChIKey is YWKHSVDMAABRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c16-11-12-5-4-8-14(19-12)17-9-10-18-15-20-21-22-23(15)13-6-2-1-3-7-13/h1-8H,9-10H2,(H,17,19)(H,18,20,22).
What are the key properties of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile?
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133412520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).