N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine

C6H12N4 — CID 3039953

IUPACN,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCN(C)CCn1cncn1
InChIInChI=1S/C6H12N4/c1-9(2)3-4-10-6-7-5-8-10/h5-6H,3-4H2,1-2H3
InChIKeyBLFOJPQSVBUXAO-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.16
Rot. Bonds3

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

N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 3039953) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID3039953
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCN(C)CCn1cncn1
InChIInChI=1S/C6H12N4/c1-9(2)3-4-10-6-7-5-8-10/h5-6H,3-4H2,1-2H3
InChIKeyBLFOJPQSVBUXAO-UHFFFAOYSA-N
XLogP-0.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine (CID 3039953) is N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine is CN(C)CCn1cncn1.
What is the InChIKey of N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is BLFOJPQSVBUXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-9(2)3-4-10-6-7-5-8-10/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine?
N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 3039953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).