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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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).