(Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine

C10H12BrN5 — CID 143646969

IUPAC(Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine
SMILESN/C=C\N(N)Cc1cc2c(Br)ccnc2[nH]1
InChIInChI=1S/C10H12BrN5/c11-9-1-3-14-10-8(9)5-7(15-10)6-16(13)4-2-12/h1-5H,6,12-13H2,(H,14,15)/b4-2-
InChIKeyFKOXJKAHTPMSGK-RQOWECAXSA-N
MW282.14 g/mol
LogP1.43
Rot. Bonds3

About (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine

(Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine (PubChem CID 143646969) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine
PubChem CID143646969
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name(Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine
SMILESN/C=C\N(N)Cc1cc2c(Br)ccnc2[nH]1
InChIInChI=1S/C10H12BrN5/c11-9-1-3-14-10-8(9)5-7(15-10)6-16(13)4-2-12/h1-5H,6,12-13H2,(H,14,15)/b4-2-
InChIKeyFKOXJKAHTPMSGK-RQOWECAXSA-N
XLogP1.43
TPSA83.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine?
The IUPAC name of (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine (CID 143646969) is (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine.
What is the SMILES notation for (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine?
The canonical SMILES for (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine is N/C=C\N(N)Cc1cc2c(Br)ccnc2[nH]1.
What is the InChIKey of (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine?
The InChIKey is FKOXJKAHTPMSGK-RQOWECAXSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-9-1-3-14-10-8(9)5-7(15-10)6-16(13)4-2-12/h1-5H,6,12-13H2,(H,14,15)/b4-2-.
What are the key properties of (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine?
(Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine has a molecular weight of 282.14 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]amino]ethenamine is sourced from PubChem (CID 143646969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).