N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine

C9H13FN4 — CID 172945411

IUPACN-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine
SMILESCc1cnc(N/N=C/C(C)(C)F)cn1
InChIInChI=1S/C9H13FN4/c1-7-4-12-8(5-11-7)14-13-6-9(2,3)10/h4-6H,1-3H3,(H,12,14)/b13-6+
InChIKeyYXFAOSBKRKSLIF-AWNIVKPZSA-N
MW196.23 g/mol
LogP1.93
Rot. Bonds3

About N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine

N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine (PubChem CID 172945411) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine
PubChem CID172945411
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC NameN-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine
SMILESCc1cnc(N/N=C/C(C)(C)F)cn1
InChIInChI=1S/C9H13FN4/c1-7-4-12-8(5-11-7)14-13-6-9(2,3)10/h4-6H,1-3H3,(H,12,14)/b13-6+
InChIKeyYXFAOSBKRKSLIF-AWNIVKPZSA-N
XLogP1.93
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine?
The IUPAC name of N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine (CID 172945411) is N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine.
What is the SMILES notation for N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine?
The canonical SMILES for N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine is Cc1cnc(N/N=C/C(C)(C)F)cn1.
What is the InChIKey of N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine?
The InChIKey is YXFAOSBKRKSLIF-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H13FN4/c1-7-4-12-8(5-11-7)14-13-6-9(2,3)10/h4-6H,1-3H3,(H,12,14)/b13-6+.
What are the key properties of N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine?
N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine has a molecular weight of 196.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluoro-2-methylpropylidene)amino]-5-methylpyrazin-2-amine is sourced from PubChem (CID 172945411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).