(9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C15H23N5O — CID 98740572

IUPAC(9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCn1ncc(CN2CCN3CCNC(=O)[C@H]3C2)c1C1CC1
InChIInChI=1S/C15H23N5O/c1-18-14(11-2-3-11)12(8-17-18)9-19-6-7-20-5-4-16-15(21)13(20)10-19/h8,11,13H,2-7,9-10H2,1H3,(H,16,21)/t13-/m1/s1
InChIKeyYTQPSKCFCFLQMO-CYBMUJFWSA-N
MW289.38 g/mol
LogP-0.09
Rot. Bonds3

About (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

(9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 98740572) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID98740572
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESCn1ncc(CN2CCN3CCNC(=O)[C@H]3C2)c1C1CC1
InChIInChI=1S/C15H23N5O/c1-18-14(11-2-3-11)12(8-17-18)9-19-6-7-20-5-4-16-15(21)13(20)10-19/h8,11,13H,2-7,9-10H2,1H3,(H,16,21)/t13-/m1/s1
InChIKeyYTQPSKCFCFLQMO-CYBMUJFWSA-N
XLogP-0.09
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 98740572) is (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is Cn1ncc(CN2CCN3CCNC(=O)[C@H]3C2)c1C1CC1.
What is the InChIKey of (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is YTQPSKCFCFLQMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-14(11-2-3-11)12(8-17-18)9-19-6-7-20-5-4-16-15(21)13(20)10-19/h8,11,13H,2-7,9-10H2,1H3,(H,16,21)/t13-/m1/s1.
What are the key properties of (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
(9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 289.38 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 98740572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).