N-methyl-1-(2-methyltetrazol-5-yl)methanamine

C4H9N5 — CID 67058696

IUPACN-methyl-1-(2-methyltetrazol-5-yl)methanamine
SMILESCNCc1nnn(C)n1
InChIInChI=1S/C4H9N5/c1-5-3-4-6-8-9(2)7-4/h5H,3H2,1-2H3
InChIKeyYABHCUGEYSRJJE-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.07
Rot. Bonds2

About N-methyl-1-(2-methyltetrazol-5-yl)methanamine

N-methyl-1-(2-methyltetrazol-5-yl)methanamine (PubChem CID 67058696) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is N-methyl-1-(2-methyltetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyltetrazol-5-yl)methanamine
PubChem CID67058696
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC NameN-methyl-1-(2-methyltetrazol-5-yl)methanamine
SMILESCNCc1nnn(C)n1
InChIInChI=1S/C4H9N5/c1-5-3-4-6-8-9(2)7-4/h5H,3H2,1-2H3
InChIKeyYABHCUGEYSRJJE-UHFFFAOYSA-N
XLogP-1.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(2-methyltetrazol-5-yl)methanamine 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-methyl-1-(2-methyltetrazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyltetrazol-5-yl)methanamine (CID 67058696) is N-methyl-1-(2-methyltetrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyltetrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyltetrazol-5-yl)methanamine is CNCc1nnn(C)n1.
What is the InChIKey of N-methyl-1-(2-methyltetrazol-5-yl)methanamine?
The InChIKey is YABHCUGEYSRJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-5-3-4-6-8-9(2)7-4/h5H,3H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyltetrazol-5-yl)methanamine?
N-methyl-1-(2-methyltetrazol-5-yl)methanamine has a molecular weight of 127.15 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyltetrazol-5-yl)methanamine is sourced from PubChem (CID 67058696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).