N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C7H14N4 — CID 16763501

IUPACN-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCNCc1nncn1C(C)C
InChIInChI=1S/C7H14N4/c1-6(2)11-5-9-10-7(11)4-8-3/h5-6,8H,4H2,1-3H3
InChIKeyHTBNRMWFFNIJSW-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.58
Rot. Bonds3

About N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine

N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 16763501) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID16763501
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCNCc1nncn1C(C)C
InChIInChI=1S/C7H14N4/c1-6(2)11-5-9-10-7(11)4-8-3/h5-6,8H,4H2,1-3H3
InChIKeyHTBNRMWFFNIJSW-UHFFFAOYSA-N
XLogP0.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-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-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 16763501) is N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CNCc1nncn1C(C)C.
What is the InChIKey of N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is HTBNRMWFFNIJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6(2)11-5-9-10-7(11)4-8-3/h5-6,8H,4H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 154.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 16763501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).