(E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide

C10H10F2N6O — CID 175627652

IUPAC(E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide
SMILESNC(/C=C(\N)OC(F)F)=Nc1cnc2cc[nH]c2n1
InChIInChI=1S/C10H10F2N6O/c11-10(12)19-7(14)3-6(13)17-8-4-16-5-1-2-15-9(5)18-8/h1-4,10H,14H2,(H3,13,15,17,18)/b7-3+
InChIKeySUMHDZSCQAYTDZ-XVNBXDOJSA-N
MW268.23 g/mol
LogP0.99
Rot. Bonds4

About (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide

(E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide (PubChem CID 175627652) has the molecular formula C10H10F2N6O and a molecular weight of 268.23 g/mol. Its IUPAC name is (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide
PubChem CID175627652
Molecular FormulaC10H10F2N6O
Molecular Weight268.23 g/mol
Exact Mass268.09
IUPAC Name(E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide
SMILESNC(/C=C(\N)OC(F)F)=Nc1cnc2cc[nH]c2n1
InChIInChI=1S/C10H10F2N6O/c11-10(12)19-7(14)3-6(13)17-8-4-16-5-1-2-15-9(5)18-8/h1-4,10H,14H2,(H3,13,15,17,18)/b7-3+
InChIKeySUMHDZSCQAYTDZ-XVNBXDOJSA-N
XLogP0.99
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 5370803
CID 5370803
CID 46235625
CID 46235625
CID 46235942
CID 46235942
CID 25067308
CID 25067308
CID 118115571
CID 118115571
CID 118116035
CID 118116035
CID 118116036
CID 118116036
CID 118116050
CID 118116050
CID 118116127
CID 118116127
CID 118116272
CID 118116272
CID 40152282
CID 40152282
CID 68316574
CID 68316574

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide?
The IUPAC name of (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide (CID 175627652) is (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide.
What is the SMILES notation for (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide?
The canonical SMILES for (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide is NC(/C=C(\N)OC(F)F)=Nc1cnc2cc[nH]c2n1.
What is the InChIKey of (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide?
The InChIKey is SUMHDZSCQAYTDZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H10F2N6O/c11-10(12)19-7(14)3-6(13)17-8-4-16-5-1-2-15-9(5)18-8/h1-4,10H,14H2,(H3,13,15,17,18)/b7-3+.
What are the key properties of (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide?
(E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide has a molecular weight of 268.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-(difluoromethoxy)-N'-(5H-pyrrolo[2,3-b]pyrazin-3-yl)prop-2-enimidamide is sourced from PubChem (CID 175627652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).