1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile

C10H14N4O — CID 65165722

IUPAC1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCCC2CCCO2)n1
InChIInChI=1S/C10H14N4O/c11-7-10-12-8-14(13-10)5-1-3-9-4-2-6-15-9/h8-9H,1-6H2
InChIKeyVVJUNQXQPKZTJL-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.11
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile

1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 65165722) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile
PubChem CID65165722
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCCC2CCCO2)n1
InChIInChI=1S/C10H14N4O/c11-7-10-12-8-14(13-10)5-1-3-9-4-2-6-15-9/h8-9H,1-6H2
InChIKeyVVJUNQXQPKZTJL-UHFFFAOYSA-N
XLogP1.11
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile (CID 65165722) is 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(CCCC2CCCO2)n1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is VVJUNQXQPKZTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-7-10-12-8-14(13-10)5-1-3-9-4-2-6-15-9/h8-9H,1-6H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile?
1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 65165722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).