1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile

C9H12N4O — CID 82207234

IUPAC1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile
SMILESCCn1nnc(C#N)c1C1CCCO1
InChIInChI=1S/C9H12N4O/c1-2-13-9(7(6-10)11-12-13)8-4-3-5-14-8/h8H,2-5H2,1H3
InChIKeyRHXPLSOIJSYOGY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.02
Rot. Bonds2

About 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile

1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile (PubChem CID 82207234) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile
PubChem CID82207234
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile
SMILESCCn1nnc(C#N)c1C1CCCO1
InChIInChI=1S/C9H12N4O/c1-2-13-9(7(6-10)11-12-13)8-4-3-5-14-8/h8H,2-5H2,1H3
InChIKeyRHXPLSOIJSYOGY-UHFFFAOYSA-N
XLogP1.02
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylbutyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82208236
5-(oxolan-2-yl)-1-[(4-propan-2-ylphenyl)methyl]triazole-4-carbonitrile
CID 82204244
1-[(2-chlorophenyl)methyl]-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82203405
1-(4-chlorophenyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82200758
1-[4-(dimethylamino)phenyl]-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82199653
1-(3-chloro-4-fluorophenyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82195385
[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82205498
1-butyl-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82205221
1-(3-methylbutyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82208161
[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203204
3-(bromomethyl)-4-ethyl-5-(oxolan-2-yl)-1,2,4-triazole
CID 115399474
5-(oxolan-2-yl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylic acid
CID 82210994

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile?
The IUPAC name of 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile (CID 82207234) is 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile.
What is the SMILES notation for 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile?
The canonical SMILES for 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile is CCn1nnc(C#N)c1C1CCCO1.
What is the InChIKey of 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile?
The InChIKey is RHXPLSOIJSYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-13-9(7(6-10)11-12-13)8-4-3-5-14-8/h8H,2-5H2,1H3.
What are the key properties of 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile?
1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(oxolan-2-yl)triazole-4-carbonitrile is sourced from PubChem (CID 82207234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).