3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole

C12H15ClN4 — CID 117380176

IUPAC3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole
SMILESClc1[nH]nc2cc(CN3CCNCC3)ccc12
InChIInChI=1S/C12H15ClN4/c13-12-10-2-1-9(7-11(10)15-16-12)8-17-5-3-14-4-6-17/h1-2,7,14H,3-6,8H2,(H,15,16)
InChIKeyRMXHXVFQRDUJIF-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.62
Rot. Bonds2

About 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole

3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole (PubChem CID 117380176) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole.

Molecular Properties

Compound Name3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole
PubChem CID117380176
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole
SMILESClc1[nH]nc2cc(CN3CCNCC3)ccc12
InChIInChI=1S/C12H15ClN4/c13-12-10-2-1-9(7-11(10)15-16-12)8-17-5-3-14-4-6-17/h1-2,7,14H,3-6,8H2,(H,15,16)
InChIKeyRMXHXVFQRDUJIF-UHFFFAOYSA-N
XLogP1.62
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(2-piperazin-1-ylethyl)-2H-indazole
CID 117416280
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine
CID 117287420
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
2-[(4-methylpiperazin-1-yl)methyl]-5-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 83949516
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
(4-chlorophenyl)-(7-chloroquinolin-4-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanol
CID 162658505

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole?
The IUPAC name of 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole (CID 117380176) is 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole.
What is the SMILES notation for 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole?
The canonical SMILES for 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole is Clc1[nH]nc2cc(CN3CCNCC3)ccc12.
What is the InChIKey of 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole?
The InChIKey is RMXHXVFQRDUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-12-10-2-1-9(7-11(10)15-16-12)8-17-5-3-14-4-6-17/h1-2,7,14H,3-6,8H2,(H,15,16).
What are the key properties of 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole?
3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole has a molecular weight of 250.73 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(piperazin-1-ylmethyl)-2H-indazole is sourced from PubChem (CID 117380176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).