1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride

C19H25ClN4O — CID 162332726

IUPAC1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-14(24)23-12-8-15(9-13-23)17-20-21-18(22(17)2)19(10-11-19)16-6-4-3-5-7-16;/h3-7,15H,8-13H2,1-2H3;1H
InChIKeyAPNULWYZYSHROB-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.04
Rot. Bonds3

About 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride

1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride (PubChem CID 162332726) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride
PubChem CID162332726
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCC(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-14(24)23-12-8-15(9-13-23)17-20-21-18(22(17)2)19(10-11-19)16-6-4-3-5-7-16;/h3-7,15H,8-13H2,1-2H3;1H
InChIKeyAPNULWYZYSHROB-UHFFFAOYSA-N
XLogP3.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride (CID 162332726) is 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride is CC(=O)N1CCC(c2nnc(C3(c4ccccc4)CC3)n2C)CC1.Cl.
What is the InChIKey of 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is APNULWYZYSHROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-14(24)23-12-8-15(9-13-23)17-20-21-18(22(17)2)19(10-11-19)16-6-4-3-5-7-16;/h3-7,15H,8-13H2,1-2H3;1H.
What are the key properties of 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride?
1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 162332726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).