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

C10H12N6 — CID 4153256

IUPACN-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
SMILESCCc1ccc(C=NNc2nn[nH]n2)cc1
InChIInChI=1S/C10H12N6/c1-2-8-3-5-9(6-4-8)7-11-12-10-13-15-16-14-10/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyPVHQQTUQRIIVKR-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.21
Rot. Bonds4

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

N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine (PubChem CID 4153256) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
PubChem CID4153256
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC NameN-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
SMILESCCc1ccc(C=NNc2nn[nH]n2)cc1
InChIInChI=1S/C10H12N6/c1-2-8-3-5-9(6-4-8)7-11-12-10-13-15-16-14-10/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyPVHQQTUQRIIVKR-UHFFFAOYSA-N
XLogP1.21
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.21
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-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine
CID 961500
N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride
CID 163326027
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 4050814
N-[(E)-(4-ethylphenyl)methylideneamino]formamide
CID 6903320
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 19617455
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
N-[(Z)-(4-ethylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6410874

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine (CID 4153256) is N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine is CCc1ccc(C=NNc2nn[nH]n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine?
The InChIKey is PVHQQTUQRIIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-2-8-3-5-9(6-4-8)7-11-12-10-13-15-16-14-10/h3-7H,2H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine?
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine has a molecular weight of 216.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 4153256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).