6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride

C14H17Cl2N3O — CID 155631307

IUPAC6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride
SMILESCl.NCC1C2CC(O)(c3cc(Cl)cc4[nH]ncc34)CC12
InChIInChI=1S/C14H16ClN3O.ClH/c15-7-1-12(11-6-17-18-13(11)2-7)14(19)3-8-9(4-14)10(8)5-16;/h1-2,6,8-10,19H,3-5,16H2,(H,17,18);1H
InChIKeyCYCOZPJQXNFGJZ-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.44
Rot. Bonds2

About 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride

6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride (PubChem CID 155631307) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride
PubChem CID155631307
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride
SMILESCl.NCC1C2CC(O)(c3cc(Cl)cc4[nH]ncc34)CC12
InChIInChI=1S/C14H16ClN3O.ClH/c15-7-1-12(11-6-17-18-13(11)2-7)14(19)3-8-9(4-14)10(8)5-16;/h1-2,6,8-10,19H,3-5,16H2,(H,17,18);1H
InChIKeyCYCOZPJQXNFGJZ-UHFFFAOYSA-N
XLogP2.44
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride?
The IUPAC name of 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride (CID 155631307) is 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride is Cl.NCC1C2CC(O)(c3cc(Cl)cc4[nH]ncc34)CC12.
What is the InChIKey of 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride?
The InChIKey is CYCOZPJQXNFGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O.ClH/c15-7-1-12(11-6-17-18-13(11)2-7)14(19)3-8-9(4-14)10(8)5-16;/h1-2,6,8-10,19H,3-5,16H2,(H,17,18);1H.
What are the key properties of 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride?
6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride has a molecular weight of 314.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride is sourced from PubChem (CID 155631307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).