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

C6H9ClN6 — CID 3054719

IUPAC7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCc1cc2nc(N)nc(N)n2n1.Cl
InChIInChI=1S/C6H8N6.ClH/c1-3-2-4-9-5(7)10-6(8)12(4)11-3;/h2H,1H3,(H4,7,8,9,10);1H
InChIKeyYRYOGSCNKFKBHN-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.02
Rot. Bonds

About 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (PubChem CID 3054719) has the molecular formula C6H9ClN6 and a molecular weight of 200.63 g/mol. Its IUPAC name is 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
PubChem CID3054719
Molecular FormulaC6H9ClN6
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCc1cc2nc(N)nc(N)n2n1.Cl
InChIInChI=1S/C6H8N6.ClH/c1-3-2-4-9-5(7)10-6(8)12(4)11-3;/h2H,1H3,(H4,7,8,9,10);1H
InChIKeyYRYOGSCNKFKBHN-UHFFFAOYSA-N
XLogP0.02
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The IUPAC name of 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (CID 3054719) is 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is Cc1cc2nc(N)nc(N)n2n1.Cl.
What is the InChIKey of 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The InChIKey is YRYOGSCNKFKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6.ClH/c1-3-2-4-9-5(7)10-6(8)12(4)11-3;/h2H,1H3,(H4,7,8,9,10);1H.
What are the key properties of 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 3054719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).