2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine

C7H10ClN5 — CID 14298227

IUPAC2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine
SMILESCc1[nH]n2nc(CCN)nc2c1Cl
InChIInChI=1S/C7H10ClN5/c1-4-6(8)7-10-5(2-3-9)12-13(7)11-4/h11H,2-3,9H2,1H3
InChIKeyFLRUARYEHFWDSK-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.52
Rot. Bonds2

About 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine

2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine (PubChem CID 14298227) has the molecular formula C7H10ClN5 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine
PubChem CID14298227
Molecular FormulaC7H10ClN5
Molecular Weight199.64 g/mol
Exact Mass199.06
IUPAC Name2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine
SMILESCc1[nH]n2nc(CCN)nc2c1Cl
InChIInChI=1S/C7H10ClN5/c1-4-6(8)7-10-5(2-3-9)12-13(7)11-4/h11H,2-3,9H2,1H3
InChIKeyFLRUARYEHFWDSK-UHFFFAOYSA-N
XLogP0.52
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-6-methyl-1H-pyrazolo[1,5-b][1,2,4]triazole
CID 10654385
6-methyl-2-propyl-1H-pyrazolo[1,5-b][1,2,4]triazole
CID 10773333
2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 13587863
3-Ethyl-6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazole
CID 13685152
7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 14344173
7-chloro-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
CID 14344180
3,6-Dimethyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
CID 15413212
2,6-Dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazol-7-amine
CID 15868718
2-ethyl-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-amine
CID 17786177
6-methyl-2-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-7-amine
CID 17786203
7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 18716653
3,6,7-trimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 18725095

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
The IUPAC name of 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine (CID 14298227) is 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine is Cc1[nH]n2nc(CCN)nc2c1Cl.
What is the InChIKey of 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
The InChIKey is FLRUARYEHFWDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5/c1-4-6(8)7-10-5(2-3-9)12-13(7)11-4/h11H,2-3,9H2,1H3.
What are the key properties of 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine has a molecular weight of 199.64 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine is sourced from PubChem (CID 14298227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).