(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine

C16H25N3 — CID 134299729

IUPAC(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine
SMILESC/C=C(/C1CC(C)C1)N1C=CN=C(N)/C1=C\CCC
InChIInChI=1S/C16H25N3/c1-4-6-7-15-16(17)18-8-9-19(15)14(5-2)13-10-12(3)11-13/h5,7-9,12-13H,4,6,10-11H2,1-3H3,(H2,17,18)/b14-5-,15-7+
InChIKeyWNORDDZKSFLLPX-XVFJZQKOSA-N
MW259.40 g/mol
LogP3.76
Rot. Bonds4

About (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine

(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine (PubChem CID 134299729) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine.

Molecular Properties

Compound Name(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine
PubChem CID134299729
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine
SMILESC/C=C(/C1CC(C)C1)N1C=CN=C(N)/C1=C\CCC
InChIInChI=1S/C16H25N3/c1-4-6-7-15-16(17)18-8-9-19(15)14(5-2)13-10-12(3)11-13/h5,7-9,12-13H,4,6,10-11H2,1-3H3,(H2,17,18)/b14-5-,15-7+
InChIKeyWNORDDZKSFLLPX-XVFJZQKOSA-N
XLogP3.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine?
The IUPAC name of (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine (CID 134299729) is (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine.
What is the SMILES notation for (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine?
The canonical SMILES for (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine is C/C=C(/C1CC(C)C1)N1C=CN=C(N)/C1=C\CCC.
What is the InChIKey of (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine?
The InChIKey is WNORDDZKSFLLPX-XVFJZQKOSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-6-7-15-16(17)18-8-9-19(15)14(5-2)13-10-12(3)11-13/h5,7-9,12-13H,4,6,10-11H2,1-3H3,(H2,17,18)/b14-5-,15-7+.
What are the key properties of (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine?
(3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-butylidene-4-[(Z)-1-(3-methylcyclobutyl)prop-1-enyl]pyrazin-2-amine is sourced from PubChem (CID 134299729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).