N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine

C12H20N6 — CID 50978613

IUPACN-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCCn1cnnc1CN(C)Cc1nc[nH]c1C
InChIInChI=1S/C12H20N6/c1-4-5-18-9-15-16-12(18)7-17(3)6-11-10(2)13-8-14-11/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyJDIKUPIKUKTVJK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.35
Rot. Bonds6

About N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine

N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 50978613) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID50978613
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCCn1cnnc1CN(C)Cc1nc[nH]c1C
InChIInChI=1S/C12H20N6/c1-4-5-18-9-15-16-12(18)7-17(3)6-11-10(2)13-8-14-11/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyJDIKUPIKUKTVJK-UHFFFAOYSA-N
XLogP1.35
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]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-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 50978613) is N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine is CCCn1cnnc1CN(C)Cc1nc[nH]c1C.
What is the InChIKey of N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is JDIKUPIKUKTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-5-18-9-15-16-12(18)7-17(3)6-11-10(2)13-8-14-11/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1H-imidazol-4-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 50978613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).