(6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H25N5O3 — CID 97128444

IUPAC(6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CC[C@]2(CCC1=O)CN(C(=O)c1c[nH]c(=O)cn1)CCN2C
InChIInChI=1S/C18H25N5O3/c1-3-7-22-8-6-18(5-4-16(22)25)13-23(10-9-21(18)2)17(26)14-11-20-15(24)12-19-14/h3,11-12H,1,4-10,13H2,2H3,(H,20,24)/t18-/m1/s1
InChIKeyAYXVQORCHSWXNV-GOSISDBHSA-N
MW359.43 g/mol
LogP0.09
Rot. Bonds3

About (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97128444) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97128444
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CC[C@]2(CCC1=O)CN(C(=O)c1c[nH]c(=O)cn1)CCN2C
InChIInChI=1S/C18H25N5O3/c1-3-7-22-8-6-18(5-4-16(22)25)13-23(10-9-21(18)2)17(26)14-11-20-15(24)12-19-14/h3,11-12H,1,4-10,13H2,2H3,(H,20,24)/t18-/m1/s1
InChIKeyAYXVQORCHSWXNV-GOSISDBHSA-N
XLogP0.09
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97128444) is (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is C=CCN1CC[C@]2(CCC1=O)CN(C(=O)c1c[nH]c(=O)cn1)CCN2C.
What is the InChIKey of (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is AYXVQORCHSWXNV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-7-22-8-6-18(5-4-16(22)25)13-23(10-9-21(18)2)17(26)14-11-20-15(24)12-19-14/h3,11-12H,1,4-10,13H2,2H3,(H,20,24)/t18-/m1/s1.
What are the key properties of (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.43 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 (6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97128444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).