N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine

C13H19N3 — CID 123618590

IUPACN-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
SMILESC=CC=c1nc(C)c(NC(C)(C)C)nc1=C
InChIInChI=1S/C13H19N3/c1-7-8-11-9(2)15-12(10(3)14-11)16-13(4,5)6/h7-8H,1-2H2,3-6H3,(H,15,16)
InChIKeyIKBLCSXCSQSXLA-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.37
Rot. Bonds2

About N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine

N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine (PubChem CID 123618590) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
PubChem CID123618590
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
SMILESC=CC=c1nc(C)c(NC(C)(C)C)nc1=C
InChIInChI=1S/C13H19N3/c1-7-8-11-9(2)15-12(10(3)14-11)16-13(4,5)6/h7-8H,1-2H2,3-6H3,(H,15,16)
InChIKeyIKBLCSXCSQSXLA-UHFFFAOYSA-N
XLogP1.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
CID 90836516
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123199380
(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
CID 129018850
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078
(4E)-2-butan-2-yl-5-methylidene-4-prop-2-enylidene-1H-imidazole
CID 129189813
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole
CID 129189847
(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole
CID 130207287
4,9-dimethylidene-2-propan-2-yl-1H-1,3-diazonine
CID 135243264
2-ethyl-4,9-dimethylidene-1H-1,3-diazonine
CID 138749778
N'-buta-1,3-dien-2-yl-N-[(2E)-penta-2,4-dien-2-yl]ethanimidamide
CID 139305356
N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 139305364

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
The IUPAC name of N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine (CID 123618590) is N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
The canonical SMILES for N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine is C=CC=c1nc(C)c(NC(C)(C)C)nc1=C.
What is the InChIKey of N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
The InChIKey is IKBLCSXCSQSXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-7-8-11-9(2)15-12(10(3)14-11)16-13(4,5)6/h7-8H,1-2H2,3-6H3,(H,15,16).
What are the key properties of N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine?
N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine is sourced from PubChem (CID 123618590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).