5-(2-methylpropyl)-1H-1,2,4-triazole

C6H11N3 — CID 18917243

IUPAC5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1ncn[nH]1
InChIInChI=1S/C6H11N3/c1-5(2)3-6-7-4-8-9-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyYFLPRBJVBXONAJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.00
Rot. Bonds2

About 5-(2-methylpropyl)-1H-1,2,4-triazole

5-(2-methylpropyl)-1H-1,2,4-triazole (PubChem CID 18917243) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-1H-1,2,4-triazole
PubChem CID18917243
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1ncn[nH]1
InChIInChI=1S/C6H11N3/c1-5(2)3-6-7-4-8-9-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyYFLPRBJVBXONAJ-UHFFFAOYSA-N
XLogP1.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methylpropyl)-1H-1,2,4-triazole (CID 18917243) is 5-(2-methylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methylpropyl)-1H-1,2,4-triazole is CC(C)Cc1ncn[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-1H-1,2,4-triazole?
The InChIKey is YFLPRBJVBXONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)3-6-7-4-8-9-6/h4-5H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 5-(2-methylpropyl)-1H-1,2,4-triazole?
5-(2-methylpropyl)-1H-1,2,4-triazole has a molecular weight of 125.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 18917243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).