N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine

C11H13F2N5 — CID 144979490

IUPACN-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC=NC1=C(N(Cc2cnccn2)C(F)F)CNC1
InChIInChI=1S/C11H13F2N5/c1-14-9-5-16-6-10(9)18(11(12)13)7-8-4-15-2-3-17-8/h2-4,11,16H,1,5-7H2
InChIKeyBQHSPSOFEBYXKA-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.02
Rot. Bonds5

About N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine

N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine (PubChem CID 144979490) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine
PubChem CID144979490
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC=NC1=C(N(Cc2cnccn2)C(F)F)CNC1
InChIInChI=1S/C11H13F2N5/c1-14-9-5-16-6-10(9)18(11(12)13)7-8-4-15-2-3-17-8/h2-4,11,16H,1,5-7H2
InChIKeyBQHSPSOFEBYXKA-UHFFFAOYSA-N
XLogP1.02
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The IUPAC name of N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine (CID 144979490) is N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine.
What is the SMILES notation for N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The canonical SMILES for N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine is C=NC1=C(N(Cc2cnccn2)C(F)F)CNC1.
What is the InChIKey of N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The InChIKey is BQHSPSOFEBYXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-14-9-5-16-6-10(9)18(11(12)13)7-8-4-15-2-3-17-8/h2-4,11,16H,1,5-7H2.
What are the key properties of N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine has a molecular weight of 253.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-4-(methylideneamino)-N-(pyrazin-2-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine is sourced from PubChem (CID 144979490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).