7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

C8H13ClN6 — CID 3054720

IUPAC7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCCc1nn2c(N)nc(N)nc2c1C.Cl
InChIInChI=1S/C8H12N6.ClH/c1-3-5-4(2)6-11-7(9)12-8(10)14(6)13-5;/h3H2,1-2H3,(H4,9,10,11,12);1H
InChIKeySNEVADKAUVTJKE-UHFFFAOYSA-N
MW228.69 g/mol
LogP0.58
Rot. Bonds1

About 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (PubChem CID 3054720) has the molecular formula C8H13ClN6 and a molecular weight of 228.69 g/mol. Its IUPAC name is 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
PubChem CID3054720
Molecular FormulaC8H13ClN6
Molecular Weight228.69 g/mol
Exact Mass228.09
IUPAC Name7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESCCc1nn2c(N)nc(N)nc2c1C.Cl
InChIInChI=1S/C8H12N6.ClH/c1-3-5-4(2)6-11-7(9)12-8(10)14(6)13-5;/h3H2,1-2H3,(H4,9,10,11,12);1H
InChIKeySNEVADKAUVTJKE-UHFFFAOYSA-N
XLogP0.58
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The IUPAC name of 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (CID 3054720) is 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is CCc1nn2c(N)nc(N)nc2c1C.Cl.
What is the InChIKey of 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The InChIKey is SNEVADKAUVTJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6.ClH/c1-3-5-4(2)6-11-7(9)12-8(10)14(6)13-5;/h3H2,1-2H3,(H4,9,10,11,12);1H.
What are the key properties of 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride has a molecular weight of 228.69 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 3054720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).