(6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone

C12H19N5O — CID 114087520

IUPAC(6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
SMILESCC1CN(C)CCCN1C(=O)c1cncc(N)n1
InChIInChI=1S/C12H19N5O/c1-9-8-16(2)4-3-5-17(9)12(18)10-6-14-7-11(13)15-10/h6-7,9H,3-5,8H2,1-2H3,(H2,13,15)
InChIKeyMERLYSMAYLAAHF-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.22
Rot. Bonds1

About (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone

(6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone (PubChem CID 114087520) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
PubChem CID114087520
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
SMILESCC1CN(C)CCCN1C(=O)c1cncc(N)n1
InChIInChI=1S/C12H19N5O/c1-9-8-16(2)4-3-5-17(9)12(18)10-6-14-7-11(13)15-10/h6-7,9H,3-5,8H2,1-2H3,(H2,13,15)
InChIKeyMERLYSMAYLAAHF-UHFFFAOYSA-N
XLogP0.22
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
(6-aminopyrazin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 114036117
(3,6-dichloropyridazin-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086775
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
CID 71877252
(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879067
1-(6-aminopyrazin-2-yl)ethanone
CID 146315593
(4-bromo-3-methylphenyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114086848
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
cis-(1S,2R)-2-(2,4-dimethyl-1,4-diazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093363

Frequently Asked Questions

What is the IUPAC name of (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone (CID 114087520) is (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone is CC1CN(C)CCCN1C(=O)c1cncc(N)n1.
What is the InChIKey of (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
The InChIKey is MERLYSMAYLAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9-8-16(2)4-3-5-17(9)12(18)10-6-14-7-11(13)15-10/h6-7,9H,3-5,8H2,1-2H3,(H2,13,15).
What are the key properties of (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone?
(6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopyrazin-2-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 114087520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).