1-methyl-5-propan-2-yl-1,2,4-triazole

C6H11N3 — CID 15496056

IUPAC1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1C
InChIInChI=1S/C6H11N3/c1-5(2)6-7-4-8-9(6)3/h4-5H,1-3H3
InChIKeyUGXMOHLDXFRGHO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.94
Rot. Bonds1

About 1-methyl-5-propan-2-yl-1,2,4-triazole

1-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 15496056) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID15496056
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1C
InChIInChI=1S/C6H11N3/c1-5(2)6-7-4-8-9(6)3/h4-5H,1-3H3
InChIKeyUGXMOHLDXFRGHO-UHFFFAOYSA-N
XLogP0.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-4H-1,2,4-triazole
CID 12217053
3-Isopropyl-1H-1,2,4-triazole
CID 21547708
1H-1,2,4-Triazole,3-ethynyl-1-methyl-(9CI)
CID 12201383
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
4-Methyl-3-(1-methylethyl)-4H-1,2,4-triazole
CID 18338545
3-ethyl-4-methyl-4H-1,2,4-triazole
CID 18726713
3-cyclopropyl-4-methyl-4H-1,2,4-triazole
CID 46318327
1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine
CID 50986546
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
2-(1-methyl-1H-1,2,4-triazol-3-yl)acetonitrile
CID 59872479
5-bromo-3-cyclopropyl-1-methyl-1H-1,2,4-triazole
CID 84035176
1,3-Dimethyl-1,2,4-triazole
CID 307977

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-methyl-5-propan-2-yl-1,2,4-triazole (CID 15496056) is 1-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1ncnn1C.
What is the InChIKey of 1-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is UGXMOHLDXFRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)6-7-4-8-9(6)3/h4-5H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-1,2,4-triazole?
1-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 15496056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).