(1,5-dipropyltriazol-4-yl)methanol

C9H17N3O — CID 82204892

IUPAC(1,5-dipropyltriazol-4-yl)methanol
SMILESCCCc1c(CO)nnn1CCC
InChIInChI=1S/C9H17N3O/c1-3-5-9-8(7-13)10-11-12(9)6-4-2/h13H,3-7H2,1-2H3
InChIKeyCXWHHZFJONYZPO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.13
Rot. Bonds5

About (1,5-dipropyltriazol-4-yl)methanol

(1,5-dipropyltriazol-4-yl)methanol (PubChem CID 82204892) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (1,5-dipropyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1,5-dipropyltriazol-4-yl)methanol
PubChem CID82204892
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(1,5-dipropyltriazol-4-yl)methanol
SMILESCCCc1c(CO)nnn1CCC
InChIInChI=1S/C9H17N3O/c1-3-5-9-8(7-13)10-11-12(9)6-4-2/h13H,3-7H2,1-2H3
InChIKeyCXWHHZFJONYZPO-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dipropyltriazol-4-yl)methanol?
The IUPAC name of (1,5-dipropyltriazol-4-yl)methanol (CID 82204892) is (1,5-dipropyltriazol-4-yl)methanol.
What is the SMILES notation for (1,5-dipropyltriazol-4-yl)methanol?
The canonical SMILES for (1,5-dipropyltriazol-4-yl)methanol is CCCc1c(CO)nnn1CCC.
What is the InChIKey of (1,5-dipropyltriazol-4-yl)methanol?
The InChIKey is CXWHHZFJONYZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-5-9-8(7-13)10-11-12(9)6-4-2/h13H,3-7H2,1-2H3.
What are the key properties of (1,5-dipropyltriazol-4-yl)methanol?
(1,5-dipropyltriazol-4-yl)methanol has a molecular weight of 183.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dipropyltriazol-4-yl)methanol is sourced from PubChem (CID 82204892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).