5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole

C8H13N3 — CID 61337311

IUPAC5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H13N3/c1-5(2)7-9-8(11-10-7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyINPCCVZWQIQDJF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.81
Rot. Bonds2

About 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole

5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole (PubChem CID 61337311) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
PubChem CID61337311
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H13N3/c1-5(2)7-9-8(11-10-7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyINPCCVZWQIQDJF-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole (CID 61337311) is 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole is CC(C)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is INPCCVZWQIQDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5(2)7-9-8(11-10-7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole?
5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 61337311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).