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

C6H10N4 — CID 144717647

IUPACN-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine
SMILESC=C(Cn1cncn1)NC
InChIInChI=1S/C6H10N4/c1-6(7-2)3-10-5-8-4-9-10/h4-5,7H,1,3H2,2H3
InChIKeyOSDQQRCHGOITKM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.01
Rot. Bonds3

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

N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine (PubChem CID 144717647) 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-2-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine
PubChem CID144717647
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC NameN-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine
SMILESC=C(Cn1cncn1)NC
InChIInChI=1S/C6H10N4/c1-6(7-2)3-10-5-8-4-9-10/h4-5,7H,1,3H2,2H3
InChIKeyOSDQQRCHGOITKM-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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Related Compounds

2-(1H-1,2,4-triazol-1-yl)propan-1-amine
CID 16637242
N-(2-(1H-1,2,4-Triazol-1-yl)ethyl)propan-2-amine
CID 18349040
N-Methyl-2-(1H-1,2,4-triazol-1-yl)ethanamine
CID 22277815
N-methyl-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 58313044
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-1-amine
CID 89075288
5-Methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 136456978
N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
CID 143935792
2-[(Z)-1-aminobut-1-en-2-yl]-1,2,4-triazol-3-amine
CID 145221182
ethane;(E)-N-methyl-1-methylimino-1-(1,2,4-triazol-1-yl)but-2-en-2-amine
CID 145314904
(E)-N-[2-(1,2,4-triazol-1-yl)ethyl]hex-3-en-3-amine
CID 156563680
(3E)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]penta-1,3-diene-2,4-diamine
CID 166768557
(Z)-N'-propan-2-yl-2-[1-(1,2,4-triazol-1-yl)propylideneamino]prop-1-ene-1,3-diamine
CID 170060907

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine?
The IUPAC name of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine (CID 144717647) is N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine?
The canonical SMILES for N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine is C=C(Cn1cncn1)NC.
What is the InChIKey of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine?
The InChIKey is OSDQQRCHGOITKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-6(7-2)3-10-5-8-4-9-10/h4-5,7H,1,3H2,2H3.
What are the key properties of N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-amine?
N-methyl-3-(1,2,4-triazol-1-yl)prop-1-en-2-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-2-amine is sourced from PubChem (CID 144717647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).