4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H17N7O — CID 82745772

IUPAC4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1OCCC1N(C)c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7O/c1-8-9(4-7-20-8)18(2)11-15-10(13)16-12(17-11)19-6-3-5-14-19/h3,5-6,8-9H,4,7H2,1-2H3,(H2,13,15,16,17)
InChIKeyRDRRZUYVXXIMCU-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.25
Rot. Bonds3

About 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 82745772) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID82745772
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1OCCC1N(C)c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7O/c1-8-9(4-7-20-8)18(2)11-15-10(13)16-12(17-11)19-6-3-5-14-19/h3,5-6,8-9H,4,7H2,1-2H3,(H2,13,15,16,17)
InChIKeyRDRRZUYVXXIMCU-UHFFFAOYSA-N
XLogP0.25
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 82745772) is 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CC1OCCC1N(C)c1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RDRRZUYVXXIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-8-9(4-7-20-8)18(2)11-15-10(13)16-12(17-11)19-6-3-5-14-19/h3,5-6,8-9H,4,7H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methyloxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82745772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).