[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol

C12H21N3O2 — CID 115396838

IUPAC[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC1CCCCO1
InChIInChI=1S/C12H21N3O2/c1-2-6-15-11(13-14-12(15)9-16)8-10-5-3-4-7-17-10/h10,16H,2-9H2,1H3
InChIKeyHGRXSRGPRWERAH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.29
Rot. Bonds5

About [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396838) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396838
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1CC1CCCCO1
InChIInChI=1S/C12H21N3O2/c1-2-6-15-11(13-14-12(15)9-16)8-10-5-3-4-7-17-10/h10,16H,2-9H2,1H3
InChIKeyHGRXSRGPRWERAH-UHFFFAOYSA-N
XLogP1.29
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 115396838) is [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1CC1CCCCO1.
What is the InChIKey of [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is HGRXSRGPRWERAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-6-15-11(13-14-12(15)9-16)8-10-5-3-4-7-17-10/h10,16H,2-9H2,1H3.
What are the key properties of [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).