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

C19H27N5O3 — CID 72898045

IUPAC10-(cyclopropylmethyl)-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)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H27N5O3/c1-22-8-9-24(18(27)15-10-21-16(25)11-20-15)13-19(22)5-4-17(26)23(7-6-19)12-14-2-3-14/h10-11,14H,2-9,12-13H2,1H3,(H,21,25)
InChIKeyBYCMVKNNWOWOEY-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.32
Rot. Bonds3

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

10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72898045) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72898045
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name10-(cyclopropylmethyl)-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)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H27N5O3/c1-22-8-9-24(18(27)15-10-21-16(25)11-20-15)13-19(22)5-4-17(26)23(7-6-19)12-14-2-3-14/h10-11,14H,2-9,12-13H2,1H3,(H,21,25)
InChIKeyBYCMVKNNWOWOEY-UHFFFAOYSA-N
XLogP0.32
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845672
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97191565
(6S)-10-(cyclopropylmethyl)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97200483
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121140
4-[10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carbonyl]benzonitrile
CID 72845478
(6S)-10-(cyclopropylmethyl)-4-(2,5-dimethylfuran-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195951
N-cyclopentyl-10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70725318
10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72878417
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyrimidin-2-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127057
(6S)-10-(cyclopropylmethyl)-1-methyl-4-pyridin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97114072
(6R)-10-(cyclopropylmethyl)-4-(4,6-dimethylpyrimidin-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100900253
(6S)-10-(cyclopropylmethyl)-4-cyclopropylsulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195348

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72898045) is 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-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)CC12CCC(=O)N(CC1CC1)CC2.
What is the InChIKey of 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is BYCMVKNNWOWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-22-8-9-24(18(27)15-10-21-16(25)11-20-15)13-19(22)5-4-17(26)23(7-6-19)12-14-2-3-14/h10-11,14H,2-9,12-13H2,1H3,(H,21,25).
What are the key properties of 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 373.46 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72898045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).