Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)

C7H11ClN6 — CID 3054722

IUPAC4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCC1=NN2C(=C1)N=C(N=C2NC)N.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
MW214.65 g/mol
LogP—
Rot. Bonds1

About Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)

Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1) (PubChem CID 3054722) has the molecular formula C7H11ClN6 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-N,7-dimethylpyrazolo[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, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)
PubChem CID3054722
Molecular FormulaC7H11ClN6
Molecular Weight214.65 g/mol
Exact Mass214.07
IUPAC Name4-N,7-dimethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCC1=NN2C(=C1)N=C(N=C2NC)N.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
XLogP—
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity186

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)?
The IUPAC name of Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1) (CID 3054722) is 4-N,7-dimethylpyrazolo[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, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)?
The canonical SMILES for Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1) is CC1=NN2C(=C1)N=C(N=C2NC)N.Cl.
What is the InChIKey of Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)?
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 Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)?
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1) has a molecular weight of 214.65 g/mol, XLogP of not available, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1) is sourced from PubChem (CID 3054722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).