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

C7H11ClN6 — CID 3054722

IUPAC4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCNc1nc(N)nc2cc(C)nn12.Cl
InChIInChI=1S/C7H10N6.ClH/c1-4-3-5-10-6(8)11-7(9-2)13(5)12-4;/h3H,1-2H3,(H3,8,9,10,11);1H
InChIKeyMPOAPVKETBTGMQ-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.48
Rot. Bonds1

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

4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (PubChem CID 3054722) has the molecular formula C7H11ClN6 and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
PubChem CID3054722
Molecular FormulaC7H11ClN6
Molecular Weight214.66 g/mol
Exact Mass214.07
IUPAC Name4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCNc1nc(N)nc2cc(C)nn12.Cl
InChIInChI=1S/C7H10N6.ClH/c1-4-3-5-10-6(8)11-7(9-2)13(5)12-4;/h3H,1-2H3,(H3,8,9,10,11);1H
InChIKeyMPOAPVKETBTGMQ-UHFFFAOYSA-N
XLogP0.48
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The IUPAC name of 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (CID 3054722) is 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is CNc1nc(N)nc2cc(C)nn12.Cl.
What is the InChIKey of 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The InChIKey is MPOAPVKETBTGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6.ClH/c1-4-3-5-10-6(8)11-7(9-2)13(5)12-4;/h3H,1-2H3,(H3,8,9,10,11);1H.
What are the key properties of 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride has a molecular weight of 214.66 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 3054722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).