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

C19H26N6O — CID 70754110

IUPAC2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CC1CC1
InChIInChI=1S/C19H26N6O/c26-17-4-5-19(14-24(17)12-15-2-3-15)6-10-23(11-7-19)13-16-21-18-20-8-1-9-25(18)22-16/h1,8-9,15H,2-7,10-14H2
InChIKeyOPFUZHUCKMJCEY-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.74
Rot. Bonds4

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

2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70754110) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70754110
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CC1CC1
InChIInChI=1S/C19H26N6O/c26-17-4-5-19(14-24(17)12-15-2-3-15)6-10-23(11-7-19)13-16-21-18-20-8-1-9-25(18)22-16/h1,8-9,15H,2-7,10-14H2
InChIKeyOPFUZHUCKMJCEY-UHFFFAOYSA-N
XLogP1.74
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70754110) is 2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-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)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OPFUZHUCKMJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-17-4-5-19(14-24(17)12-15-2-3-15)6-10-23(11-7-19)13-16-21-18-20-8-1-9-25(18)22-16/h1,8-9,15H,2-7,10-14H2.
What are the key properties of 2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 354.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70754110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).