2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C8H12N6 — CID 170358203

IUPAC2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)n2nccc2n1
InChIInChI=1S/C8H12N6/c1-5(2)11-8-12-6-3-4-10-14(6)7(9)13-8/h3-5H,1-2H3,(H3,9,11,12,13)
InChIKeyPNPSFIIXDKCKLA-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.53
Rot. Bonds2

About 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 170358203) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID170358203
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)n2nccc2n1
InChIInChI=1S/C8H12N6/c1-5(2)11-8-12-6-3-4-10-14(6)7(9)13-8/h3-5H,1-2H3,(H3,9,11,12,13)
InChIKeyPNPSFIIXDKCKLA-UHFFFAOYSA-N
XLogP0.53
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 170358203) is 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CC(C)Nc1nc(N)n2nccc2n1.
What is the InChIKey of 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is PNPSFIIXDKCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-5(2)11-8-12-6-3-4-10-14(6)7(9)13-8/h3-5H,1-2H3,(H3,9,11,12,13).
What are the key properties of 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 192.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 170358203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).