4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C12H17N7O — CID 80853918

IUPAC4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCOC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7O/c1-2-13-10-16-11(15-9-4-7-20-8-9)18-12(17-10)19-6-3-5-14-19/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,15,16,17,18)
InChIKeyROKIRWZLMNJKAL-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.69
Rot. Bonds5

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

4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80853918) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80853918
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCOC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7O/c1-2-13-10-16-11(15-9-4-7-20-8-9)18-12(17-10)19-6-3-5-14-19/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,15,16,17,18)
InChIKeyROKIRWZLMNJKAL-UHFFFAOYSA-N
XLogP0.69
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-cyclobutyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827140
2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80853473
4-hydrazinyl-N-(oxan-4-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80907252
4-N-methyl-2-N-(oxolan-3-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80823144
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
2-N-(2-cyclopropylethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846875
3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832734
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
4-N-methyl-2-N-(4-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773650
2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80769428
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80853918) is 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CCOC2)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ROKIRWZLMNJKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-13-10-16-11(15-9-4-7-20-8-9)18-12(17-10)19-6-3-5-14-19/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,15,16,17,18).
What are the key properties of 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80853918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).