N-cyclohexyl-1-phenyltetrazol-5-amine

C13H17N5 — CID 543435

IUPACN-cyclohexyl-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC2CCCCC2)cc1
InChIInChI=1S/C13H17N5/c1-3-7-11(8-4-1)14-13-15-16-17-18(13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15,17)
InChIKeyFGGHQJHLQVTLIX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.41
Rot. Bonds3

About N-cyclohexyl-1-phenyltetrazol-5-amine

N-cyclohexyl-1-phenyltetrazol-5-amine (PubChem CID 543435) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-cyclohexyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-phenyltetrazol-5-amine
PubChem CID543435
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-cyclohexyl-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC2CCCCC2)cc1
InChIInChI=1S/C13H17N5/c1-3-7-11(8-4-1)14-13-15-16-17-18(13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15,17)
InChIKeyFGGHQJHLQVTLIX-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-cyclohexyl-1-phenyltetrazol-5-amine (CID 543435) is N-cyclohexyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-cyclohexyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-cyclohexyl-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-1-phenyltetrazol-5-amine?
The InChIKey is FGGHQJHLQVTLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-7-11(8-4-1)14-13-15-16-17-18(13)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15,17).
What are the key properties of N-cyclohexyl-1-phenyltetrazol-5-amine?
N-cyclohexyl-1-phenyltetrazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 543435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).