1-(1H-1,2,4-triazol-5-yl)pentan-1-ol

C7H13N3O — CID 65362647

IUPAC1-(1H-1,2,4-triazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1ncn[nH]1
InChIInChI=1S/C7H13N3O/c1-2-3-4-6(11)7-8-5-9-10-7/h5-6,11H,2-4H2,1H3,(H,8,9,10)
InChIKeyUPPUUDHJQOVRAI-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds4

About 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol

1-(1H-1,2,4-triazol-5-yl)pentan-1-ol (PubChem CID 65362647) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)pentan-1-ol
PubChem CID65362647
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(1H-1,2,4-triazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1ncn[nH]1
InChIInChI=1S/C7H13N3O/c1-2-3-4-6(11)7-8-5-9-10-7/h5-6,11H,2-4H2,1H3,(H,8,9,10)
InChIKeyUPPUUDHJQOVRAI-UHFFFAOYSA-N
XLogP1.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol (CID 65362647) is 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol is CCCCC(O)c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol?
The InChIKey is UPPUUDHJQOVRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-4-6(11)7-8-5-9-10-7/h5-6,11H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol?
1-(1H-1,2,4-triazol-5-yl)pentan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)pentan-1-ol is sourced from PubChem (CID 65362647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).