5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile

C10H16N4 — CID 69381982

IUPAC5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile
SMILESCCCn1nnc(C#N)c1CC(C)C
InChIInChI=1S/C10H16N4/c1-4-5-14-10(6-8(2)3)9(7-11)12-13-14/h8H,4-6H2,1-3H3
InChIKeyGWEZCBYOZUKCHW-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.76
Rot. Bonds4

About 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile

5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile (PubChem CID 69381982) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile
PubChem CID69381982
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile
SMILESCCCn1nnc(C#N)c1CC(C)C
InChIInChI=1S/C10H16N4/c1-4-5-14-10(6-8(2)3)9(7-11)12-13-14/h8H,4-6H2,1-3H3
InChIKeyGWEZCBYOZUKCHW-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile?
The IUPAC name of 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile (CID 69381982) is 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile.
What is the SMILES notation for 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile?
The canonical SMILES for 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile is CCCn1nnc(C#N)c1CC(C)C.
What is the InChIKey of 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile?
The InChIKey is GWEZCBYOZUKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-5-14-10(6-8(2)3)9(7-11)12-13-14/h8H,4-6H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile?
5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile has a molecular weight of 192.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-propyltriazole-4-carbonitrile is sourced from PubChem (CID 69381982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).