N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine

C6H10N4 — CID 89075288

IUPACN-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
SMILESCNC=CCn1cncn1
InChIInChI=1S/C6H10N4/c1-7-3-2-4-10-6-8-5-9-10/h2-3,5-7H,4H2,1H3
InChIKeyDQTHPWZAFJKZJE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.01
Rot. Bonds3

About N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine

N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine (PubChem CID 89075288) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
PubChem CID89075288
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC NameN-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
SMILESCNC=CCn1cncn1
InChIInChI=1S/C6H10N4/c1-7-3-2-4-10-6-8-5-9-10/h2-3,5-7H,4H2,1H3
InChIKeyDQTHPWZAFJKZJE-UHFFFAOYSA-N
XLogP0.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine?
The IUPAC name of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine (CID 89075288) is N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine.
What is the SMILES notation for N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine?
The canonical SMILES for N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine is CNC=CCn1cncn1.
What is the InChIKey of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine?
The InChIKey is DQTHPWZAFJKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-7-3-2-4-10-6-8-5-9-10/h2-3,5-7H,4H2,1H3.
What are the key properties of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine?
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine has a molecular weight of 138.17 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 89075288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).