2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H21N5O — CID 115054511

IUPAC2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2nc(CCC3CCNC3)cc(=O)n2[nH]1
InChIInChI=1S/C14H21N5O/c1-9(2)13-17-14-16-11(7-12(20)19(14)18-13)4-3-10-5-6-15-8-10/h7,9-10,15H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyDVBAHXOQIFZWLS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.08
Rot. Bonds4

About 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 115054511) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID115054511
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1nc2nc(CCC3CCNC3)cc(=O)n2[nH]1
InChIInChI=1S/C14H21N5O/c1-9(2)13-17-14-16-11(7-12(20)19(14)18-13)4-3-10-5-6-15-8-10/h7,9-10,15H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyDVBAHXOQIFZWLS-UHFFFAOYSA-N
XLogP1.08
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054508
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054456
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
1,3-dimethyl-6-(2-pyrrolidin-3-ylethyl)pyrimidine-2,4-dione
CID 115042065
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502
2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 82485203
5-ethyl-2-piperazin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 99110203
6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one
CID 83858521

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 115054511) is 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1nc2nc(CCC3CCNC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DVBAHXOQIFZWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9(2)13-17-14-16-11(7-12(20)19(14)18-13)4-3-10-5-6-15-8-10/h7,9-10,15H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 275.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115054511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).