N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine

C17H13N7 — CID 166383373

IUPACN-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine
SMILESc1ccc(Nc2cc(-c3cccc(-n4cnnn4)c3)ccn2)nc1
InChIInChI=1S/C17H13N7/c1-2-8-18-16(6-1)21-17-11-14(7-9-19-17)13-4-3-5-15(10-13)24-12-20-22-23-24/h1-12H,(H,18,19,21)
InChIKeyVUBPFQVWEULGBN-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.86
Rot. Bonds4

About N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine

N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 166383373) has the molecular formula C17H13N7 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine
PubChem CID166383373
Molecular FormulaC17H13N7
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC NameN-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine
SMILESc1ccc(Nc2cc(-c3cccc(-n4cnnn4)c3)ccn2)nc1
InChIInChI=1S/C17H13N7/c1-2-8-18-16(6-1)21-17-11-14(7-9-19-17)13-4-3-5-15(10-13)24-12-20-22-23-24/h1-12H,(H,18,19,21)
InChIKeyVUBPFQVWEULGBN-UHFFFAOYSA-N
XLogP2.86
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-pyridin-2-yl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridin-2-amine
CID 166383359
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121680
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N-(3-pyrazol-1-ylphenyl)pyridin-2-amine
CID 162630753
2-(tetrazol-1-yl)pyridine
CID 11679840
N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
CID 62203211
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
CID 62927731
2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 62922172
1-(3-propylphenyl)tetrazole
CID 130450814

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine (CID 166383373) is N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine is c1ccc(Nc2cc(-c3cccc(-n4cnnn4)c3)ccn2)nc1.
What is the InChIKey of N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is VUBPFQVWEULGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7/c1-2-8-18-16(6-1)21-17-11-14(7-9-19-17)13-4-3-5-15(10-13)24-12-20-22-23-24/h1-12H,(H,18,19,21).
What are the key properties of N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine?
N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 315.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 166383373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).