2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H27N5O3 — CID 91778817

IUPAC2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)CC(C(=O)N1CCN(C3CCOCC3)CC1)CC2
InChIInChI=1S/C17H27N5O3/c1-19-17(24)22-12-13(2-3-15(22)18-19)16(23)21-8-6-20(7-9-21)14-4-10-25-11-5-14/h13-14H,2-12H2,1H3
InChIKeyFMFMBMQNIIBUGW-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.53
Rot. Bonds2

About 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 91778817) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID91778817
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2n(c1=O)CC(C(=O)N1CCN(C3CCOCC3)CC1)CC2
InChIInChI=1S/C17H27N5O3/c1-19-17(24)22-12-13(2-3-15(22)18-19)16(23)21-8-6-20(7-9-21)14-4-10-25-11-5-14/h13-14H,2-12H2,1H3
InChIKeyFMFMBMQNIIBUGW-UHFFFAOYSA-N
XLogP-0.53
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

6-[(4-ethyl-3,3-dimethylpiperazin-1-yl)carbonyl]-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91798335
2-Methyl-6-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56873416
(6S)-2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100058859
(6R)-2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100058860
(6R)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100339946
1-Methyl-3-[1-(oxane-4-carbonyl)piperidin-3-YL]-4-(propan-2-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 124072037
(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 124680107
2-methyl-6-[(1-methyl-9-oxa-1,4-diazaspiro[5.5]undec-4-yl)carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 138807771
6-[4-[2-(oxan-4-yl)acetyl]piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167746238
6-[4-(oxane-4-carbonyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167921159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 91778817) is 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2n(c1=O)CC(C(=O)N1CCN(C3CCOCC3)CC1)CC2.
What is the InChIKey of 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FMFMBMQNIIBUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-19-17(24)22-12-13(2-3-15(22)18-19)16(23)21-8-6-20(7-9-21)14-4-10-25-11-5-14/h13-14H,2-12H2,1H3.
What are the key properties of 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 349.44 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(oxan-4-yl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 91778817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).