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

C8H15N3 — CID 61349001

IUPAC3-propan-2-yl-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C(C)C)n[nH]1
InChIInChI=1S/C8H15N3/c1-4-5-7-9-8(6(2)3)11-10-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyPUYKRCIDGWQTFD-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.88
Rot. Bonds3

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

3-propan-2-yl-5-propyl-1H-1,2,4-triazole (PubChem CID 61349001) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-propan-2-yl-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-propan-2-yl-5-propyl-1H-1,2,4-triazole
PubChem CID61349001
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-propan-2-yl-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C(C)C)n[nH]1
InChIInChI=1S/C8H15N3/c1-4-5-7-9-8(6(2)3)11-10-7/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyPUYKRCIDGWQTFD-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-propan-2-yl-5-propyl-1H-1,2,4-triazole (CID 61349001) is 3-propan-2-yl-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-propan-2-yl-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-propan-2-yl-5-propyl-1H-1,2,4-triazole is CCCc1nc(C(C)C)n[nH]1.
What is the InChIKey of 3-propan-2-yl-5-propyl-1H-1,2,4-triazole?
The InChIKey is PUYKRCIDGWQTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-5-7-9-8(6(2)3)11-10-7/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 3-propan-2-yl-5-propyl-1H-1,2,4-triazole?
3-propan-2-yl-5-propyl-1H-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 61349001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).