3-(3-propyltriazol-4-yl)propan-1-ol

C8H15N3O — CID 114690518

IUPAC3-(3-propyltriazol-4-yl)propan-1-ol
SMILESCCCn1nncc1CCCO
InChIInChI=1S/C8H15N3O/c1-2-5-11-8(4-3-6-12)7-9-10-11/h7,12H,2-6H2,1H3
InChIKeyQEORSBGNAKUEBL-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.61
Rot. Bonds5

About 3-(3-propyltriazol-4-yl)propan-1-ol

3-(3-propyltriazol-4-yl)propan-1-ol (PubChem CID 114690518) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(3-propyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-propyltriazol-4-yl)propan-1-ol
PubChem CID114690518
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(3-propyltriazol-4-yl)propan-1-ol
SMILESCCCn1nncc1CCCO
InChIInChI=1S/C8H15N3O/c1-2-5-11-8(4-3-6-12)7-9-10-11/h7,12H,2-6H2,1H3
InChIKeyQEORSBGNAKUEBL-UHFFFAOYSA-N
XLogP0.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propyltriazol-4-yl)propan-1-ol?
The IUPAC name of 3-(3-propyltriazol-4-yl)propan-1-ol (CID 114690518) is 3-(3-propyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3-propyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(3-propyltriazol-4-yl)propan-1-ol is CCCn1nncc1CCCO.
What is the InChIKey of 3-(3-propyltriazol-4-yl)propan-1-ol?
The InChIKey is QEORSBGNAKUEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-5-11-8(4-3-6-12)7-9-10-11/h7,12H,2-6H2,1H3.
What are the key properties of 3-(3-propyltriazol-4-yl)propan-1-ol?
3-(3-propyltriazol-4-yl)propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 114690518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).