N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine

C10H13N5 — CID 104626500

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
SMILESCn1ccc(CCNc2cccnn2)n1
InChIInChI=1S/C10H13N5/c1-15-8-5-9(14-15)4-7-11-10-3-2-6-12-13-10/h2-3,5-6,8H,4,7H2,1H3,(H,11,13)
InChIKeySJUNPGCQRDPRSK-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.86
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine

N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine (PubChem CID 104626500) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
PubChem CID104626500
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
SMILESCn1ccc(CCNc2cccnn2)n1
InChIInChI=1S/C10H13N5/c1-15-8-5-9(14-15)4-7-11-10-3-2-6-12-13-10/h2-3,5-6,8H,4,7H2,1H3,(H,11,13)
InChIKeySJUNPGCQRDPRSK-UHFFFAOYSA-N
XLogP0.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine (CID 104626500) is N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine is Cn1ccc(CCNc2cccnn2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
The InChIKey is SJUNPGCQRDPRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-15-8-5-9(14-15)4-7-11-10-3-2-6-12-13-10/h2-3,5-6,8H,4,7H2,1H3,(H,11,13).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine?
N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine has a molecular weight of 203.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 104626500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).