6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine

C12H17N5O — CID 114143844

IUPAC6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5O/c1-17-8-6-9(16-17)5-7-14-12-10(13)3-4-11(15-12)18-2/h3-4,6,8H,5,7,13H2,1-2H3,(H,14,15)
InChIKeyDWXRUQRCEJKSAP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.06
Rot. Bonds5

About 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine

6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine (PubChem CID 114143844) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
PubChem CID114143844
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5O/c1-17-8-6-9(16-17)5-7-14-12-10(13)3-4-11(15-12)18-2/h3-4,6,8H,5,7,13H2,1-2H3,(H,14,15)
InChIKeyDWXRUQRCEJKSAP-UHFFFAOYSA-N
XLogP1.06
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine 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 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine (CID 114143844) is 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine is COc1ccc(N)c(NCCc2ccn(C)n2)n1.
What is the InChIKey of 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is DWXRUQRCEJKSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17-8-6-9(16-17)5-7-14-12-10(13)3-4-11(15-12)18-2/h3-4,6,8H,5,7,13H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 114143844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).