4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C15H16FN9O — CID 1258305

IUPAC4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cn2nnc(-c3ccccc3F)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16FN9O/c16-11-4-2-1-3-10(11)13-21-23-25(22-13)9-12-18-14(17)20-15(19-12)24-5-7-26-8-6-24/h1-4H,5-9H2,(H2,17,18,19,20)
InChIKeyKOFQNLNLERTISU-UHFFFAOYSA-N
MW357.35 g/mol
LogP0.13
Rot. Bonds4

About 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1258305) has the molecular formula C15H16FN9O and a molecular weight of 357.35 g/mol. Its IUPAC name is 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1258305
Molecular FormulaC15H16FN9O
Molecular Weight357.35 g/mol
Exact Mass357.15
IUPAC Name4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(Cn2nnc(-c3ccccc3F)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H16FN9O/c16-11-4-2-1-3-10(11)13-21-23-25(22-13)9-12-18-14(17)20-15(19-12)24-5-7-26-8-6-24/h1-4H,5-9H2,(H2,17,18,19,20)
InChIKeyKOFQNLNLERTISU-UHFFFAOYSA-N
XLogP0.13
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 1258305) is 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(Cn2nnc(-c3ccccc3F)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KOFQNLNLERTISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN9O/c16-11-4-2-1-3-10(11)13-21-23-25(22-13)9-12-18-14(17)20-15(19-12)24-5-7-26-8-6-24/h1-4H,5-9H2,(H2,17,18,19,20).
What are the key properties of 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 357.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1258305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).