N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine

C10H13N7 — CID 90078494

IUPACN-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
SMILESCNc1ccc(/C=N/N(C)c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N7/c1-11-9-5-3-8(4-6-9)7-12-17(2)10-13-15-16-14-10/h3-7,11H,1-2H3,(H,13,14,15,16)/b12-7+
InChIKeyUFFGQLOIKFLVLM-KPKJPENVSA-N
MW231.26 g/mol
LogP0.71
Rot. Bonds4

About N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine

N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine (PubChem CID 90078494) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
PubChem CID90078494
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine
SMILESCNc1ccc(/C=N/N(C)c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N7/c1-11-9-5-3-8(4-6-9)7-12-17(2)10-13-15-16-14-10/h3-7,11H,1-2H3,(H,13,14,15,16)/b12-7+
InChIKeyUFFGQLOIKFLVLM-KPKJPENVSA-N
XLogP0.71
TPSA82.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Diethyl-{4-[(1H-tetrazol-5-yl)-hydrazonomethyl]-phenyl}-amine
CID 5331183
(4-Dimethylamino-benzylidene)-(1,2,4)triazol-4-YL-amine
CID 5338634
N-[4-(diethylamino)benzyl]-1H-tetrazol-5-amine
CID 4725568
N~1~-((1Z)-{4-[ethyl(methyl)amino]phenyl}methylene)-1H-tetrazole-1,5-diamine
CID 6036939
N,N-dimethyl-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]aniline
CID 9568189
5-(p-Hexadecylaminophenyl)tetrazole
CID 23349345
N~1~-[(1E)-1-(4-aminophenyl)ethylidene]-N~5~-phenyl-1H-tetrazole-1,5-diamine
CID 5392452
{4-[(1E)-2-(5-amino(1,2,3,4-tetraazolyl))-2-azavinyl]phenyl}dimethylamine
CID 6859445
1H-Tetrazole-5-ethanamine, N-(4-methylphenyl)-
CID 3041347
N-methyl-2-(1H-1,2,3,4-tetrazol-5-yl)aniline
CID 67604632
N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2H-tetrazol-5-amine
CID 90078493
N,N-dimethyl-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}aniline
CID 250893

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine (CID 90078494) is N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine is CNc1ccc(/C=N/N(C)c2nn[nH]n2)cc1.
What is the InChIKey of N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
The InChIKey is UFFGQLOIKFLVLM-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13N7/c1-11-9-5-3-8(4-6-9)7-12-17(2)10-13-15-16-14-10/h3-7,11H,1-2H3,(H,13,14,15,16)/b12-7+.
What are the key properties of N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine?
N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine has a molecular weight of 231.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[4-(methylamino)phenyl]methylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 90078494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).