pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

C5H7ClN6 — CID 3054717

IUPACpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)n2nccc2n1
InChIInChI=1S/C5H6N6.ClH/c6-4-9-3-1-2-8-11(3)5(7)10-4;/h1-2H,(H4,6,7,9,10);1H
InChIKeyMKTOVWGLPMUIFT-UHFFFAOYSA-N
MW186.61 g/mol
LogP-0.29
Rot. Bonds

About pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (PubChem CID 3054717) has the molecular formula C5H7ClN6 and a molecular weight of 186.61 g/mol. Its IUPAC name is pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Namepyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
PubChem CID3054717
Molecular FormulaC5H7ClN6
Molecular Weight186.61 g/mol
Exact Mass186.04
IUPAC Namepyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)n2nccc2n1
InChIInChI=1S/C5H6N6.ClH/c6-4-9-3-1-2-8-11(3)5(7)10-4;/h1-2H,(H4,6,7,9,10);1H
InChIKeyMKTOVWGLPMUIFT-UHFFFAOYSA-N
XLogP-0.29
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
1,2,4-Triazolo(1,5-a)pyrimidine
CID 636456
Pyrazolo(1,5-a)pyrimidine
CID 11636795
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
Mls003171035
CID 335401
[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 3161243
7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 2807616
5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
4-Aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 4625744
2,4-Dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13000580
Tetrazolo(1,5-a)pyrimidine
CID 349391

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The IUPAC name of pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (CID 3054717) is pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The canonical SMILES for pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is Cl.Nc1nc(N)n2nccc2n1.
What is the InChIKey of pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The InChIKey is MKTOVWGLPMUIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6.ClH/c6-4-9-3-1-2-8-11(3)5(7)10-4;/h1-2H,(H4,6,7,9,10);1H.
What are the key properties of pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride has a molecular weight of 186.61 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 3054717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).