5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole

C6H9N3 — CID 142136411

IUPAC5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1n[nH]c(C)n1
InChIInChI=1S/C6H9N3/c1-3-4-6-7-5(2)8-9-6/h3-4H,1-2H3,(H,7,8,9)/b4-3+
InChIKeyUCQRFTSLVNMDJJ-ONEGZZNKSA-N
MW123.16 g/mol
LogP1.15
Rot. Bonds1

About 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole

5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole (PubChem CID 142136411) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
PubChem CID142136411
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1n[nH]c(C)n1
InChIInChI=1S/C6H9N3/c1-3-4-6-7-5(2)8-9-6/h3-4H,1-2H3,(H,7,8,9)/b4-3+
InChIKeyUCQRFTSLVNMDJJ-ONEGZZNKSA-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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Related Compounds

5-(2,2-difluoroethenyl)-3-(1-fluoroethenyl)-1H-1,2,4-triazole
CID 20684993
5,5'-(E)-ethene-1,2-diylbis(4H-1,2,4-triazol-3-amine)
CID 5968446
5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine
CID 56979604
5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 57179090
3-ethenyl-5-methyl-1H-1,2,4-triazole
CID 58904785
(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
CID 59967520
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
3,5-bis(prop-2-enyl)-1H-1,2,4-triazole
CID 67867832
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-1,2,4-triazole
CID 89611446
3-(2,2-difluoroethenyl)-5-fluoro-1H-1,2,4-triazole;ethene
CID 90807730
3,5-dimethyl-1H-1,2,4-triazole;ethane
CID 91302987

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole (CID 142136411) is 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole is C/C=C/c1n[nH]c(C)n1.
What is the InChIKey of 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The InChIKey is UCQRFTSLVNMDJJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-4-6-7-5(2)8-9-6/h3-4H,1-2H3,(H,7,8,9)/b4-3+.
What are the key properties of 5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
5-methyl-3-[(E)-prop-1-enyl]-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-[(E)-prop-1-enyl]-1H-1,2,4-triazole is sourced from PubChem (CID 142136411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).