(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

C12H18N4 — CID 95203740

IUPAC(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CC[C@]3(CCCNC3)C2)cn1
InChIInChI=1S/C12H18N4/c1-2-12(9-14-4-1)3-7-16(10-12)11-8-13-5-6-15-11/h5-6,8,14H,1-4,7,9-10H2/t12-/m0/s1
InChIKeyDJOUNCXXLAEDRX-LBPRGKRZSA-N
MW218.30 g/mol
LogP1.06
Rot. Bonds1

About (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 95203740) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID95203740
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CC[C@]3(CCCNC3)C2)cn1
InChIInChI=1S/C12H18N4/c1-2-12(9-14-4-1)3-7-16(10-12)11-8-13-5-6-15-11/h5-6,8,14H,1-4,7,9-10H2/t12-/m0/s1
InChIKeyDJOUNCXXLAEDRX-LBPRGKRZSA-N
XLogP1.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 56750395
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
9-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 175764733
2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 56756393
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
[4-(2,9-diazaspiro[4.5]decan-2-yl)-6-methylpyrimidin-2-yl]methanol
CID 166266789
2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97484598
1-pyrazin-2-yl-1,7-diazaspiro[4.4]nonane
CID 10013163
[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 154888814

Frequently Asked Questions

What is the IUPAC name of (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (CID 95203740) is (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is c1cnc(N2CC[C@]3(CCCNC3)C2)cn1.
What is the InChIKey of (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is DJOUNCXXLAEDRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-12(9-14-4-1)3-7-16(10-12)11-8-13-5-6-15-11/h5-6,8,14H,1-4,7,9-10H2/t12-/m0/s1.
What are the key properties of (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 218.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 95203740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).