[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride

C12H17Cl2N3 — CID 66720584

IUPAC[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1cc2c([C@H]3C[C@@H]3CN)cccc2n1
InChIInChI=1S/C12H15N3.2ClH/c1-15-7-11-9(10-5-8(10)6-13)3-2-4-12(11)14-15;;/h2-4,7-8,10H,5-6,13H2,1H3;2*1H/t8-,10+;;/m1../s1
InChIKeyFAXGNCMLPVWLHA-WAZPLGGWSA-N
MW274.20 g/mol
LogP2.48
Rot. Bonds2

About [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride

[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride (PubChem CID 66720584) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.20 g/mol. Its IUPAC name is [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride
PubChem CID66720584
Molecular FormulaC12H17Cl2N3
Molecular Weight274.20 g/mol
Exact Mass273.08
IUPAC Name[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1cc2c([C@H]3C[C@@H]3CN)cccc2n1
InChIInChI=1S/C12H15N3.2ClH/c1-15-7-11-9(10-5-8(10)6-13)3-2-4-12(11)14-15;;/h2-4,7-8,10H,5-6,13H2,1H3;2*1H/t8-,10+;;/m1../s1
InChIKeyFAXGNCMLPVWLHA-WAZPLGGWSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
The IUPAC name of [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride (CID 66720584) is [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride is Cl.Cl.Cn1cc2c([C@H]3C[C@@H]3CN)cccc2n1.
What is the InChIKey of [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
The InChIKey is FAXGNCMLPVWLHA-WAZPLGGWSA-N. The full InChI is InChI=1S/C12H15N3.2ClH/c1-15-7-11-9(10-5-8(10)6-13)3-2-4-12(11)14-15;;/h2-4,7-8,10H,5-6,13H2,1H3;2*1H/t8-,10+;;/m1../s1.
What are the key properties of [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride?
[(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride has a molecular weight of 274.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-methylindazol-4-yl)cyclopropyl]methanamine;dihydrochloride is sourced from PubChem (CID 66720584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).