4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol

C10H17N3O — CID 83907844

IUPAC4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1cc2c(n1)CCCC2(O)CCN
InChIInChI=1S/C10H17N3O/c1-13-7-8-9(12-13)3-2-4-10(8,14)5-6-11/h7,14H,2-6,11H2,1H3
InChIKeyZDTDUEBEZCOFGC-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.29
Rot. Bonds2

About 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol

4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 83907844) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID83907844
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1cc2c(n1)CCCC2(O)CCN
InChIInChI=1S/C10H17N3O/c1-13-7-8-9(12-13)3-2-4-10(8,14)5-6-11/h7,14H,2-6,11H2,1H3
InChIKeyZDTDUEBEZCOFGC-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol (CID 83907844) is 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol is Cn1cc2c(n1)CCCC2(O)CCN.
What is the InChIKey of 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is ZDTDUEBEZCOFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-8-9(12-13)3-2-4-10(8,14)5-6-11/h7,14H,2-6,11H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol?
4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 83907844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).