N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine

C7H13N5 — CID 107042687

IUPACN-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CCCNCc1nnn(C)n1
InChIInChI=1S/C7H13N5/c1-3-4-5-8-6-7-9-11-12(2)10-7/h3,8H,1,4-6H2,2H3
InChIKeyYWTUGYYPHQSMSM-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.12
Rot. Bonds5

About N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine

N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (PubChem CID 107042687) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
PubChem CID107042687
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CCCNCc1nnn(C)n1
InChIInChI=1S/C7H13N5/c1-3-4-5-8-6-7-9-11-12(2)10-7/h3,8H,1,4-6H2,2H3
InChIKeyYWTUGYYPHQSMSM-UHFFFAOYSA-N
XLogP-0.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (CID 107042687) is N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is C=CCCNCc1nnn(C)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The InChIKey is YWTUGYYPHQSMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-4-5-8-6-7-9-11-12(2)10-7/h3,8H,1,4-6H2,2H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine has a molecular weight of 167.22 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 107042687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).