8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride

C15H24ClN7O — CID 154878921

IUPAC8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2c(N3CCCC(NC4CCNCC4)C3)nccn12
InChIInChI=1S/C15H23N7O.ClH/c23-15-20-19-14-13(17-7-9-22(14)15)21-8-1-2-12(10-21)18-11-3-5-16-6-4-11;/h7,9,11-12,16,18H,1-6,8,10H2,(H,20,23);1H
InChIKeySDLUIHIKWIUXKE-UHFFFAOYSA-N
MW353.86 g/mol
LogP0.15
Rot. Bonds3

About 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride

8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride (PubChem CID 154878921) has the molecular formula C15H24ClN7O and a molecular weight of 353.86 g/mol. Its IUPAC name is 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride
PubChem CID154878921
Molecular FormulaC15H24ClN7O
Molecular Weight353.86 g/mol
Exact Mass353.17
IUPAC Name8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride
SMILESCl.O=c1[nH]nc2c(N3CCCC(NC4CCNCC4)C3)nccn12
InChIInChI=1S/C15H23N7O.ClH/c23-15-20-19-14-13(17-7-9-22(14)15)21-8-1-2-12(10-21)18-11-3-5-16-6-4-11;/h7,9,11-12,16,18H,1-6,8,10H2,(H,20,23);1H
InChIKeySDLUIHIKWIUXKE-UHFFFAOYSA-N
XLogP0.15
TPSA90.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride?
The IUPAC name of 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride (CID 154878921) is 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride.
What is the SMILES notation for 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride?
The canonical SMILES for 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride is Cl.O=c1[nH]nc2c(N3CCCC(NC4CCNCC4)C3)nccn12.
What is the InChIKey of 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride?
The InChIKey is SDLUIHIKWIUXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O.ClH/c23-15-20-19-14-13(17-7-9-22(14)15)21-8-1-2-12(10-21)18-11-3-5-16-6-4-11;/h7,9,11-12,16,18H,1-6,8,10H2,(H,20,23);1H.
What are the key properties of 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride?
8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride has a molecular weight of 353.86 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(piperidin-4-ylamino)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one;hydrochloride is sourced from PubChem (CID 154878921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).