3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one

C15H24N6O2 — CID 138000251

IUPAC3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
SMILESCCCN1CCN(C(=O)c2nc3n(n2)CCCN3)C(C)(C)C1=O
InChIInChI=1S/C15H24N6O2/c1-4-7-19-9-10-20(15(2,3)13(19)23)12(22)11-17-14-16-6-5-8-21(14)18-11/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyUVDVHIBYSNNRTN-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.57
Rot. Bonds3

About 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one

3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one (PubChem CID 138000251) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
PubChem CID138000251
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
SMILESCCCN1CCN(C(=O)c2nc3n(n2)CCCN3)C(C)(C)C1=O
InChIInChI=1S/C15H24N6O2/c1-4-7-19-9-10-20(15(2,3)13(19)23)12(22)11-17-14-16-6-5-8-21(14)18-11/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyUVDVHIBYSNNRTN-UHFFFAOYSA-N
XLogP0.57
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one (CID 138000251) is 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one is CCCN1CCN(C(=O)c2nc3n(n2)CCCN3)C(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
The InChIKey is UVDVHIBYSNNRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-4-7-19-9-10-20(15(2,3)13(19)23)12(22)11-17-14-16-6-5-8-21(14)18-11/h4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one?
3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one has a molecular weight of 320.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 138000251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).