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

C6H12N4 — CID 58313044

IUPACN-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCNC(C)Cn1cncn1
InChIInChI=1S/C6H12N4/c1-6(7-2)3-10-5-8-4-9-10/h4-7H,3H2,1-2H3
InChIKeyGSNPTVQIIWSPGH-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.11
Rot. Bonds3

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

N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 58313044) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID58313044
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCNC(C)Cn1cncn1
InChIInChI=1S/C6H12N4/c1-6(7-2)3-10-5-8-4-9-10/h4-7H,3H2,1-2H3
InChIKeyGSNPTVQIIWSPGH-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 58313044) is N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine is CNC(C)Cn1cncn1.
What is the InChIKey of N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is GSNPTVQIIWSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(7-2)3-10-5-8-4-9-10/h4-7H,3H2,1-2H3.
What are the key properties of N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 140.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 58313044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).