4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one

C10H15N5O — CID 102846599

IUPAC4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2cncc(N)n2)CC1=O
InChIInChI=1S/C10H15N5O/c1-14-3-2-4-15(7-10(14)16)9-6-12-5-8(11)13-9/h5-6H,2-4,7H2,1H3,(H2,11,13)
InChIKeyYHHOAGXHENCSEW-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.27
Rot. Bonds1

About 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one

4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102846599) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102846599
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2cncc(N)n2)CC1=O
InChIInChI=1S/C10H15N5O/c1-14-3-2-4-15(7-10(14)16)9-6-12-5-8(11)13-9/h5-6H,2-4,7H2,1H3,(H2,11,13)
InChIKeyYHHOAGXHENCSEW-UHFFFAOYSA-N
XLogP-0.27
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102887981
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 106773361
4-(6-aminopyrazin-2-yl)piperazin-2-one
CID 78988933
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
4-(5-amino-1H-1,2,4-triazol-3-yl)-1-methyl-1,4-diazepan-2-one
CID 102887534
8-(6-aminopyrazin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 154564222
4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887980
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
6-(4,4-dimethylazepan-1-yl)pyrazin-2-amine
CID 79033929
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
CID 102887615
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887866

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one (CID 102846599) is 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2cncc(N)n2)CC1=O.
What is the InChIKey of 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is YHHOAGXHENCSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-14-3-2-4-15(7-10(14)16)9-6-12-5-8(11)13-9/h5-6H,2-4,7H2,1H3,(H2,11,13).
What are the key properties of 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one?
4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102846599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).