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

C6H12N4 — CID 141349880

IUPACN,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCN(C)CCc1ncn[nH]1
InChIInChI=1S/C6H12N4/c1-10(2)4-3-6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyAYVQMXNGTNYCER-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.09
Rot. Bonds3

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

N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 141349880) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID141349880
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCN(C)CCc1ncn[nH]1
InChIInChI=1S/C6H12N4/c1-10(2)4-3-6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyAYVQMXNGTNYCER-UHFFFAOYSA-N
XLogP-0.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine (CID 141349880) is N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine is CN(C)CCc1ncn[nH]1.
What is the InChIKey of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is AYVQMXNGTNYCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-10(2)4-3-6-7-5-8-9-6/h5H,3-4H2,1-2H3,(H,7,8,9).
What are the key properties of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine?
N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 141349880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).