5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole

C6H9N3 — CID 129101807

IUPAC5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole
SMILESC=C(C)c1n[nH]c(C)n1
InChIInChI=1S/C6H9N3/c1-4(2)6-7-5(3)8-9-6/h1H2,2-3H3,(H,7,8,9)
InChIKeyDRYXZSVBKMHOSE-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.15
Rot. Bonds1

About 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole

5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole (PubChem CID 129101807) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole
PubChem CID129101807
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole
SMILESC=C(C)c1n[nH]c(C)n1
InChIInChI=1S/C6H9N3/c1-4(2)6-7-5(3)8-9-6/h1H2,2-3H3,(H,7,8,9)
InChIKeyDRYXZSVBKMHOSE-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole (CID 129101807) is 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole is C=C(C)c1n[nH]c(C)n1.
What is the InChIKey of 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole?
The InChIKey is DRYXZSVBKMHOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4(2)6-7-5(3)8-9-6/h1H2,2-3H3,(H,7,8,9).
What are the key properties of 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole?
5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-1-en-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 129101807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).