5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine

C11H13ClN6O — CID 164560301

IUPAC5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine
SMILESCNc1cc(O/C=C2\C(Cl)=NC=CN2N)cnc1N
InChIInChI=1S/C11H13ClN6O/c1-15-8-4-7(5-17-11(8)13)19-6-9-10(12)16-2-3-18(9)14/h2-6,15H,14H2,1H3,(H2,13,17)/b9-6+
InChIKeyKWVKWZAUSHFBBX-RMKNXTFCSA-N
MW280.72 g/mol
LogP1.22
Rot. Bonds3

About 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine

5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine (PubChem CID 164560301) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine
PubChem CID164560301
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine
SMILESCNc1cc(O/C=C2\C(Cl)=NC=CN2N)cnc1N
InChIInChI=1S/C11H13ClN6O/c1-15-8-4-7(5-17-11(8)13)19-6-9-10(12)16-2-3-18(9)14/h2-6,15H,14H2,1H3,(H2,13,17)/b9-6+
InChIKeyKWVKWZAUSHFBBX-RMKNXTFCSA-N
XLogP1.22
TPSA101.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-N-methylpyridine-2,3-diamine
CID 119081728
2-chloro-5-methoxy-N-methylpyridin-3-amine
CID 86628068
3-N-methyl-5-phenylpyridine-2,3-diamine
CID 4121982
2-chloro-5-ethenyl-N-methylpyridin-4-amine
CID 144806853
4-[[2-amino-5-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]amino]benzonitrile
CID 134816025
acetylene;5-N-methylpyrimidine-4,5-diamine
CID 143435475
2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251
3-N,5,6-trimethylpyridine-2,3-diamine
CID 4302073
2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
CID 134484591
5-chloro-N-methylpyridazin-4-amine
CID 170214580
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
6-chloro-3-[(E)-1-ethoxybut-1-enyl]-N-methylpyridazin-4-amine
CID 167240938

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine?
The IUPAC name of 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine (CID 164560301) is 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine?
The canonical SMILES for 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine is CNc1cc(O/C=C2\C(Cl)=NC=CN2N)cnc1N.
What is the InChIKey of 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine?
The InChIKey is KWVKWZAUSHFBBX-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-15-8-4-7(5-17-11(8)13)19-6-9-10(12)16-2-3-18(9)14/h2-6,15H,14H2,1H3,(H2,13,17)/b9-6+.
What are the key properties of 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine?
5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine has a molecular weight of 280.72 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(1-amino-3-chloropyrazin-2-ylidene)methoxy]-3-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 164560301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).