1-(1-ethylindazol-5-yl)-N-methylethanamine

C12H17N3 — CID 84721771

IUPAC1-(1-ethylindazol-5-yl)-N-methylethanamine
SMILESCCn1ncc2cc(C(C)NC)ccc21
InChIInChI=1S/C12H17N3/c1-4-15-12-6-5-10(9(2)13-3)7-11(12)8-14-15/h5-9,13H,4H2,1-3H3
InChIKeyYOCGKVQDRSSLBG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.34
Rot. Bonds3

About 1-(1-ethylindazol-5-yl)-N-methylethanamine

1-(1-ethylindazol-5-yl)-N-methylethanamine (PubChem CID 84721771) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1-ethylindazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethylindazol-5-yl)-N-methylethanamine
PubChem CID84721771
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(1-ethylindazol-5-yl)-N-methylethanamine
SMILESCCn1ncc2cc(C(C)NC)ccc21
InChIInChI=1S/C12H17N3/c1-4-15-12-6-5-10(9(2)13-3)7-11(12)8-14-15/h5-9,13H,4H2,1-3H3
InChIKeyYOCGKVQDRSSLBG-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylindazol-5-yl)propanoic acid
CID 84724339
1-ethyl-5-iodoindazole
CID 175216814
N-methyl-1-(1-propan-2-ylindazol-6-yl)ethanamine
CID 84724165
1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82493448
potassium (1-ethylindazol-5-yl)-trifluoroboranuide
CID 166000493
1-(1-ethylindazol-5-yl)-3-methylthiourea
CID 119082148
1-ethylindazole;propane
CID 143188130
6-deuterio-1-ethylindazole
CID 175709829
1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole
CID 177179269
ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole
CID 177179500
(1S)-N-methyl-1-phenanthren-2-ylethanamine
CID 165356089
(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide
CID 163967880

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(1-ethylindazol-5-yl)-N-methylethanamine (CID 84721771) is 1-(1-ethylindazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethylindazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethylindazol-5-yl)-N-methylethanamine is CCn1ncc2cc(C(C)NC)ccc21.
What is the InChIKey of 1-(1-ethylindazol-5-yl)-N-methylethanamine?
The InChIKey is YOCGKVQDRSSLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-15-12-6-5-10(9(2)13-3)7-11(12)8-14-15/h5-9,13H,4H2,1-3H3.
What are the key properties of 1-(1-ethylindazol-5-yl)-N-methylethanamine?
1-(1-ethylindazol-5-yl)-N-methylethanamine has a molecular weight of 203.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 84721771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).