6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine

C10H18N4 — CID 174778823

IUPAC6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine
SMILESCC(C)CCC(=CCN)n1cncn1
InChIInChI=1S/C10H18N4/c1-9(2)3-4-10(5-6-11)14-8-12-7-13-14/h5,7-9H,3-4,6,11H2,1-2H3
InChIKeyBWAAHUZIIMCMNB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.51
Rot. Bonds5

About 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine

6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine (PubChem CID 174778823) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine.

Molecular Properties

Compound Name6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine
PubChem CID174778823
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine
SMILESCC(C)CCC(=CCN)n1cncn1
InChIInChI=1S/C10H18N4/c1-9(2)3-4-10(5-6-11)14-8-12-7-13-14/h5,7-9H,3-4,6,11H2,1-2H3
InChIKeyBWAAHUZIIMCMNB-UHFFFAOYSA-N
XLogP1.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine?
The IUPAC name of 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine (CID 174778823) is 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine.
What is the SMILES notation for 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine?
The canonical SMILES for 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine is CC(C)CCC(=CCN)n1cncn1.
What is the InChIKey of 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine?
The InChIKey is BWAAHUZIIMCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(2)3-4-10(5-6-11)14-8-12-7-13-14/h5,7-9H,3-4,6,11H2,1-2H3.
What are the key properties of 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine?
6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine is sourced from PubChem (CID 174778823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).