7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C11H16N6O — CID 3054729

IUPAC7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCc1cc2nc(N)nc(NCC3CCCO3)n2n1
InChIInChI=1S/C11H16N6O/c1-7-5-9-14-10(12)15-11(17(9)16-7)13-6-8-3-2-4-18-8/h5,8H,2-4,6H2,1H3,(H3,12,13,14,15)
InChIKeyYWPPWIJCASWLRQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.61
Rot. Bonds3

About 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 3054729) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID3054729
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCc1cc2nc(N)nc(NCC3CCCO3)n2n1
InChIInChI=1S/C11H16N6O/c1-7-5-9-14-10(12)15-11(17(9)16-7)13-6-8-3-2-4-18-8/h5,8H,2-4,6H2,1H3,(H3,12,13,14,15)
InChIKeyYWPPWIJCASWLRQ-UHFFFAOYSA-N
XLogP0.61
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 3054729) is 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is Cc1cc2nc(N)nc(NCC3CCCO3)n2n1.
What is the InChIKey of 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is YWPPWIJCASWLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-5-9-14-10(12)15-11(17(9)16-7)13-6-8-3-2-4-18-8/h5,8H,2-4,6H2,1H3,(H3,12,13,14,15).
What are the key properties of 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 3054729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).