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

C8H12N6 — CID 3054721

IUPAC7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCCc1nn2c(N)nc(N)nc2c1C
InChIInChI=1S/C8H12N6/c1-3-5-4(2)6-11-7(9)12-8(10)14(6)13-5/h3H2,1-2H3,(H4,9,10,11,12)
InChIKeyRDJJWTVPRPGHSA-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.16
Rot. Bonds1

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

7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 3054721) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID3054721
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCCc1nn2c(N)nc(N)nc2c1C
InChIInChI=1S/C8H12N6/c1-3-5-4(2)6-11-7(9)12-8(10)14(6)13-5/h3H2,1-2H3,(H4,9,10,11,12)
InChIKeyRDJJWTVPRPGHSA-UHFFFAOYSA-N
XLogP0.16
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.16
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?
The IUPAC name of 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 3054721) is 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CCc1nn2c(N)nc(N)nc2c1C.
What is the InChIKey of 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is RDJJWTVPRPGHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-3-5-4(2)6-11-7(9)12-8(10)14(6)13-5/h3H2,1-2H3,(H4,9,10,11,12).
What are the key properties of 7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
7-ethyl-8-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 192.23 g/mol, XLogP of 0.16, 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 is sourced from PubChem (CID 3054721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).