3-butyl-5-propan-2-yltriazole-4-carbonitrile

C10H16N4 — CID 69384076

IUPAC3-butyl-5-propan-2-yltriazole-4-carbonitrile
SMILESCCCCn1nnc(C(C)C)c1C#N
InChIInChI=1S/C10H16N4/c1-4-5-6-14-9(7-11)10(8(2)3)12-13-14/h8H,4-6H2,1-3H3
InChIKeyYTYORNJBEOPERA-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.07
Rot. Bonds4

About 3-butyl-5-propan-2-yltriazole-4-carbonitrile

3-butyl-5-propan-2-yltriazole-4-carbonitrile (PubChem CID 69384076) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-butyl-5-propan-2-yltriazole-4-carbonitrile.

Molecular Properties

Compound Name3-butyl-5-propan-2-yltriazole-4-carbonitrile
PubChem CID69384076
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-butyl-5-propan-2-yltriazole-4-carbonitrile
SMILESCCCCn1nnc(C(C)C)c1C#N
InChIInChI=1S/C10H16N4/c1-4-5-6-14-9(7-11)10(8(2)3)12-13-14/h8H,4-6H2,1-3H3
InChIKeyYTYORNJBEOPERA-UHFFFAOYSA-N
XLogP2.07
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383690
1-butyl-5-propan-2-yltriazole-4-carbonitrile
CID 69383147
1-butyl-4-propan-2-yl-5-propyltriazole
CID 69385473
1-butyl-4-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382054
5-chloro-1-hexyl-4-propan-2-yltriazole
CID 69382422
5-bromo-1-hexyl-4-propan-2-yltriazole
CID 69387210
1-butyl-5-ethyltriazole-4-carbonitrile
CID 69385908
1-hexyl-5-(2-methylpropyl)triazole-4-carbonitrile
CID 69388344
1-butyl-5-tert-butyltriazole-4-carbonitrile
CID 69383379
1-butyl-5-(2,2-dimethylpropyl)triazole-4-carbonitrile
CID 69385879
1-heptyl-5-methyltriazole-4-carbonitrile
CID 82207993
5-bromo-1-hexyltriazole-4-carbonitrile
CID 69381563

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-propan-2-yltriazole-4-carbonitrile?
The IUPAC name of 3-butyl-5-propan-2-yltriazole-4-carbonitrile (CID 69384076) is 3-butyl-5-propan-2-yltriazole-4-carbonitrile.
What is the SMILES notation for 3-butyl-5-propan-2-yltriazole-4-carbonitrile?
The canonical SMILES for 3-butyl-5-propan-2-yltriazole-4-carbonitrile is CCCCn1nnc(C(C)C)c1C#N.
What is the InChIKey of 3-butyl-5-propan-2-yltriazole-4-carbonitrile?
The InChIKey is YTYORNJBEOPERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-5-6-14-9(7-11)10(8(2)3)12-13-14/h8H,4-6H2,1-3H3.
What are the key properties of 3-butyl-5-propan-2-yltriazole-4-carbonitrile?
3-butyl-5-propan-2-yltriazole-4-carbonitrile has a molecular weight of 192.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-propan-2-yltriazole-4-carbonitrile is sourced from PubChem (CID 69384076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).