N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine

C13H13N5O — CID 166129287

IUPACN-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
SMILESCOc1ncc(C)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H13N5O/c1-8-7-14-13(19-2)12(15-8)16-11-9-5-3-4-6-10(9)17-18-11/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeySQIHOABEKQAYJD-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.41
Rot. Bonds3

About N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine

N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine (PubChem CID 166129287) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
PubChem CID166129287
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
SMILESCOc1ncc(C)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H13N5O/c1-8-7-14-13(19-2)12(15-8)16-11-9-5-3-4-6-10(9)17-18-11/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeySQIHOABEKQAYJD-UHFFFAOYSA-N
XLogP2.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine?
The IUPAC name of N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine (CID 166129287) is N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine.
What is the SMILES notation for N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine?
The canonical SMILES for N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine is COc1ncc(C)nc1Nc1n[nH]c2ccccc12.
What is the InChIKey of N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine?
The InChIKey is SQIHOABEKQAYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-7-14-13(19-2)12(15-8)16-11-9-5-3-4-6-10(9)17-18-11/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine?
N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine has a molecular weight of 255.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166129287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).