4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile

C15H25N5 — CID 84759942

IUPAC4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile
SMILESCCCCC1CCC(c2nnnn2CCCC#N)CC1
InChIInChI=1S/C15H25N5/c1-2-3-6-13-7-9-14(10-8-13)15-17-18-19-20(15)12-5-4-11-16/h13-14H,2-10,12H2,1H3
InChIKeySSLDMTUEMQBLEA-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.44
Rot. Bonds7

About 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile

4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile (PubChem CID 84759942) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile
PubChem CID84759942
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile
SMILESCCCCC1CCC(c2nnnn2CCCC#N)CC1
InChIInChI=1S/C15H25N5/c1-2-3-6-13-7-9-14(10-8-13)15-17-18-19-20(15)12-5-4-11-16/h13-14H,2-10,12H2,1H3
InChIKeySSLDMTUEMQBLEA-UHFFFAOYSA-N
XLogP3.44
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile?
The IUPAC name of 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile (CID 84759942) is 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile.
What is the SMILES notation for 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile?
The canonical SMILES for 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile is CCCCC1CCC(c2nnnn2CCCC#N)CC1.
What is the InChIKey of 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile?
The InChIKey is SSLDMTUEMQBLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-2-3-6-13-7-9-14(10-8-13)15-17-18-19-20(15)12-5-4-11-16/h13-14H,2-10,12H2,1H3.
What are the key properties of 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile?
4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile has a molecular weight of 275.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-butylcyclohexyl)tetrazol-1-yl]butanenitrile is sourced from PubChem (CID 84759942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).