N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine

C6H12N4 — CID 20791729

IUPACN-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine
SMILESCNCCn1ncnc1C
InChIInChI=1S/C6H12N4/c1-6-8-5-9-10(6)4-3-7-2/h5,7H,3-4H2,1-2H3
InChIKeyKXGPNTKJNSKSCA-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.19
Rot. Bonds3

About N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine

N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine (PubChem CID 20791729) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine
PubChem CID20791729
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine
SMILESCNCCn1ncnc1C
InChIInChI=1S/C6H12N4/c1-6-8-5-9-10(6)4-3-7-2/h5,7H,3-4H2,1-2H3
InChIKeyKXGPNTKJNSKSCA-UHFFFAOYSA-N
XLogP-0.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine (CID 20791729) is N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine is CNCCn1ncnc1C.
What is the InChIKey of N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine?
The InChIKey is KXGPNTKJNSKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6-8-5-9-10(6)4-3-7-2/h5,7H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine?
N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 20791729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).