N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine

C10H13ClN4 — CID 84689488

IUPACN'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
SMILESCn1nc(NCCN)c2c(Cl)cccc21
InChIInChI=1S/C10H13ClN4/c1-15-8-4-2-3-7(11)9(8)10(14-15)13-6-5-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyMLSXIRKZKPYWSZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.60
Rot. Bonds3

About N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine

N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine (PubChem CID 84689488) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
PubChem CID84689488
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC NameN'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
SMILESCn1nc(NCCN)c2c(Cl)cccc21
InChIInChI=1S/C10H13ClN4/c1-15-8-4-2-3-7(11)9(8)10(14-15)13-6-5-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyMLSXIRKZKPYWSZ-UHFFFAOYSA-N
XLogP1.60
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine (CID 84689488) is N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine is Cn1nc(NCCN)c2c(Cl)cccc21.
What is the InChIKey of N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine?
The InChIKey is MLSXIRKZKPYWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-15-8-4-2-3-7(11)9(8)10(14-15)13-6-5-12/h2-4H,5-6,12H2,1H3,(H,13,14).
What are the key properties of N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine?
N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine has a molecular weight of 224.69 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 84689488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).