(6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C15H21N5O3 — CID 97109646

IUPAC(6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H21N5O3/c1-19-6-7-20(14(23)11-8-18-13(22)9-17-11)10-15(19)3-2-12(21)16-5-4-15/h8-9H,2-7,10H2,1H3,(H,16,21)(H,18,22)/t15-/m0/s1
InChIKeyXFCMDVMVDPYWLR-HNNXBMFYSA-N
MW319.37 g/mol
LogP-0.80
Rot. Bonds1

About (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97109646) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97109646
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H21N5O3/c1-19-6-7-20(14(23)11-8-18-13(22)9-17-11)10-15(19)3-2-12(21)16-5-4-15/h8-9H,2-7,10H2,1H3,(H,16,21)(H,18,22)/t15-/m0/s1
InChIKeyXFCMDVMVDPYWLR-HNNXBMFYSA-N
XLogP-0.80
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

3-(6-oxo-1H-pyrazine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56707438
N-(2-aminoethyl)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxamide
CID 63252199
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 64028201
2-Butyl-8-[(5-hydroxy-2-pyrazinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70774020
4-[(5-Hydroxy-2-pyrazinyl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72837239
5-({4-[3-(4-Ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl}carbonyl)pyrazin-2-ol
CID 72844043
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72866658
9-Allyl-4-[(5-hydroxy-2-pyrazinyl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72880731
9-(Cyclopropylmethyl)-4-[(5-hydroxypyrazin-2-yl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72898045
5-(4-amino-3-ethylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 81458315
(6R)-2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96404949
(6S)-2-butyl-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96404950

Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97109646) is (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2c[nH]c(=O)cn2)C[C@]12CCNC(=O)CC2.
What is the InChIKey of (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is XFCMDVMVDPYWLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-19-6-7-20(14(23)11-8-18-13(22)9-17-11)10-15(19)3-2-12(21)16-5-4-15/h8-9H,2-7,10H2,1H3,(H,16,21)(H,18,22)/t15-/m0/s1.
What are the key properties of (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 319.37 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97109646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).