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

C15H28ClN5 — CID 76683983

IUPAC1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.c1c(NCCN2CCCCC2)nnn1C1CCCCC1
InChIInChI=1S/C15H27N5.ClH/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;1H
InChIKeySDEZDJXVDJCGMG-UHFFFAOYSA-N
MW313.88 g/mol
LogP3.10
Rot. Bonds5

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

1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride (PubChem CID 76683983) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride
PubChem CID76683983
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.c1c(NCCN2CCCCC2)nnn1C1CCCCC1
InChIInChI=1S/C15H27N5.ClH/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;1H
InChIKeySDEZDJXVDJCGMG-UHFFFAOYSA-N
XLogP3.10
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 53.10
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;hydrochloride?
The IUPAC name of 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride (CID 76683983) is 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride is Cl.c1c(NCCN2CCCCC2)nnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride?
The InChIKey is SDEZDJXVDJCGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5.ClH/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;1H.
What are the key properties of 1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride?
1-cyclohexyl-N-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride has a molecular weight of 313.88 g/mol, XLogP of 3.10, 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;hydrochloride is sourced from PubChem (CID 76683983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).