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

C7H12N4 — CID 103071548

IUPACN-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)Cn1cncn1
InChIInChI=1S/C7H12N4/c1-7(3-8-2)4-11-6-9-5-10-11/h5-6,8H,1,3-4H2,2H3
InChIKeyJRVHMXKZSZOPRF-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.05
Rot. Bonds4

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

N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine (PubChem CID 103071548) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
PubChem CID103071548
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
SMILESC=C(CNC)Cn1cncn1
InChIInChI=1S/C7H12N4/c1-7(3-8-2)4-11-6-9-5-10-11/h5-6,8H,1,3-4H2,2H3
InChIKeyJRVHMXKZSZOPRF-UHFFFAOYSA-N
XLogP0.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-methylprop-2-enyl)-1,2,4-triazole-1-carbothioamide
CID 71484987
2-Fluoro-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 84650762
1-(2-Methylprop-2-enyl)-1,2,4-triazole
CID 13133624
1-(Prop-2-en-1-yl)-1H-1,2,4-triazol-3-amine
CID 19833650
N-(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine
CID 57847808
methyl[3-(1H-1,2,4-triazol-1-yl)propyl]amine
CID 61387140
N-ethyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 61387171
1-(1,2,4-Triazol-1-yl)prop-2-en-1-amine
CID 70401313
1-(2-Methylbut-2-enyl)-1,2,4-triazole
CID 73166255
2-Prop-2-enyl-1,2,4-triazol-3-amine
CID 86084691
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
N-methyl-1-propyl-1,2,4-triazol-3-amine
CID 141302340

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine (CID 103071548) is N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine is C=C(CNC)Cn1cncn1.
What is the InChIKey of N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is JRVHMXKZSZOPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-7(3-8-2)4-11-6-9-5-10-11/h5-6,8H,1,3-4H2,2H3.
What are the key properties of N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine?
N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 152.20 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103071548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).