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

C14H13N7 — CID 9121680

IUPACN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ccccn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H13N7/c1-11(17-18-14-7-2-3-8-15-14)12-5-4-6-13(9-12)21-10-16-19-20-21/h2-10H,1H3,(H,15,18)/b17-11-
InChIKeySRPDVEFFAAEYBJ-BOPFTXTBSA-N
MW279.31 g/mol
LogP1.89
Rot. Bonds4

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

N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine (PubChem CID 9121680) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine
PubChem CID9121680
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ccccn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H13N7/c1-11(17-18-14-7-2-3-8-15-14)12-5-4-6-13(9-12)21-10-16-19-20-21/h2-10H,1H3,(H,15,18)/b17-11-
InChIKeySRPDVEFFAAEYBJ-BOPFTXTBSA-N
XLogP1.89
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline
CID 9069122
1-[3-[C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]pyrrolidin-2-one
CID 71901547
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513
4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine
CID 166383373
N-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726615
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
CID 6273160
2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726598
N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]pyridin-2-amine
CID 4546533

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine?
The IUPAC name of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine (CID 9121680) is N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine is C/C(=N/Nc1ccccn1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine?
The InChIKey is SRPDVEFFAAEYBJ-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H13N7/c1-11(17-18-14-7-2-3-8-15-14)12-5-4-6-13(9-12)21-10-16-19-20-21/h2-10H,1H3,(H,15,18)/b17-11-.
What are the key properties of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine?
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine has a molecular weight of 279.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 9121680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).