4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H17N7O2 — CID 80880717

IUPAC4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC2CCOC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H17N7O2/c1-2-4-14-10-16-11(19-8-13-7-15-19)18-12(17-10)21-9-3-5-20-6-9/h7-9H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyGAYCFKQKQYCIBK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.44
Rot. Bonds6

About 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80880717) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80880717
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC2CCOC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H17N7O2/c1-2-4-14-10-16-11(19-8-13-7-15-19)18-12(17-10)21-9-3-5-20-6-9/h7-9H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyGAYCFKQKQYCIBK-UHFFFAOYSA-N
XLogP0.44
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80877046
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861941
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80876739
2-N-(2-methoxyethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765193
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756
2-N-(2-methylsulfanylethyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80839383
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80766913
4-(3-methylbut-3-enoxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 114471227

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80880717) is 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCCNc1nc(OC2CCOC2)nc(-n2cncn2)n1.
What is the InChIKey of 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is GAYCFKQKQYCIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-2-4-14-10-16-11(19-8-13-7-15-19)18-12(17-10)21-9-3-5-20-6-9/h7-9H,2-6H2,1H3,(H,14,16,17,18).
What are the key properties of 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 291.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80880717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).