1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine

C15H27N5 — CID 76683984

IUPAC1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESc1c(NCCN2CCCCC2)nnn1C1CCCCC1
InChIInChI=1S/C15H27N5/c1-3-7-14(8-4-1)20-13-15(17-18-20)16-9-12-19-10-5-2-6-11-19/h13-14,16H,1-12H2
InChIKeyMZFCNWHXDXCMNA-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.68
Rot. Bonds5

About 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine

1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76683984) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76683984
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESc1c(NCCN2CCCCC2)nnn1C1CCCCC1
InChIInChI=1S/C15H27N5/c1-3-7-14(8-4-1)20-13-15(17-18-20)16-9-12-19-10-5-2-6-11-19/h13-14,16H,1-12H2
InChIKeyMZFCNWHXDXCMNA-UHFFFAOYSA-N
XLogP2.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76683984) is 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine is c1c(NCCN2CCCCC2)nnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is MZFCNWHXDXCMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-7-14(8-4-1)20-13-15(17-18-20)16-9-12-19-10-5-2-6-11-19/h13-14,16H,1-12H2.
What are the key properties of 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 277.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).