2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H26N6O2 — CID 70765957

IUPAC2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CCCO
InChIInChI=1S/C18H26N6O2/c25-12-2-8-23-14-18(4-3-16(23)26)5-10-22(11-6-18)13-15-20-17-19-7-1-9-24(17)21-15/h1,7,9,25H,2-6,8,10-14H2
InChIKeyPBHSFCKHIINEOO-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.71
Rot. Bonds5

About 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70765957) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70765957
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CCCO
InChIInChI=1S/C18H26N6O2/c25-12-2-8-23-14-18(4-3-16(23)26)5-10-22(11-6-18)13-15-20-17-19-7-1-9-24(17)21-15/h1,7,9,25H,2-6,8,10-14H2
InChIKeyPBHSFCKHIINEOO-UHFFFAOYSA-N
XLogP0.71
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-Hydroxypropyl)-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70775060
8-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 72925259
2-Isobutyl-8-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72929929
Cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874054
Piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134796532
(4-Methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797076
(4-Methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134797813
Piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
(4-Ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134798658
(4-Ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
CID 134800334
(1-(pyrimidin-2-yl)piperidin-3-yl)(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 71705332
[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 96557716

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70765957) is 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PBHSFCKHIINEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c25-12-2-8-23-14-18(4-3-16(23)26)5-10-22(11-6-18)13-15-20-17-19-7-1-9-24(17)21-15/h1,7,9,25H,2-6,8,10-14H2.
What are the key properties of 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70765957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).