3-cyclopropyl-5-propyl-1H-1,2,4-triazole

C8H13N3 — CID 61337322

IUPAC3-cyclopropyl-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H13N3/c1-2-3-7-9-8(11-10-7)6-4-5-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyQDDJVLUBDBVZSX-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.63
Rot. Bonds3

About 3-cyclopropyl-5-propyl-1H-1,2,4-triazole

3-cyclopropyl-5-propyl-1H-1,2,4-triazole (PubChem CID 61337322) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-cyclopropyl-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-propyl-1H-1,2,4-triazole
PubChem CID61337322
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-cyclopropyl-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H13N3/c1-2-3-7-9-8(11-10-7)6-4-5-6/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyQDDJVLUBDBVZSX-UHFFFAOYSA-N
XLogP1.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-propyl-1H-1,2,4-triazole (CID 61337322) is 3-cyclopropyl-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-propyl-1H-1,2,4-triazole is CCCc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-propyl-1H-1,2,4-triazole?
The InChIKey is QDDJVLUBDBVZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-7-9-8(11-10-7)6-4-5-6/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 3-cyclopropyl-5-propyl-1H-1,2,4-triazole?
3-cyclopropyl-5-propyl-1H-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 61337322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).