N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine

C8H7ClN6 — CID 7188525

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
SMILESClc1ccc(/C=N\Nc2nn[nH]n2)cc1
InChIInChI=1S/C8H7ClN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5-
InChIKeySZFUMFNPTAQHAI-YHYXMXQVSA-N
MW222.64 g/mol
LogP1.30
Rot. Bonds3

About N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine

N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine (PubChem CID 7188525) has the molecular formula C8H7ClN6 and a molecular weight of 222.64 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
PubChem CID7188525
Molecular FormulaC8H7ClN6
Molecular Weight222.64 g/mol
Exact Mass222.04
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
SMILESClc1ccc(/C=N\Nc2nn[nH]n2)cc1
InChIInChI=1S/C8H7ClN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5-
InChIKeySZFUMFNPTAQHAI-YHYXMXQVSA-N
XLogP1.30
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 4050814
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
CID 961582
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
2-chloro-6-methoxy-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136742487
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 19617455

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine (CID 7188525) is N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine is Clc1ccc(/C=N\Nc2nn[nH]n2)cc1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine?
The InChIKey is SZFUMFNPTAQHAI-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H7ClN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine?
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine has a molecular weight of 222.64 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 7188525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).