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

C16H19N9O — CID 1202671

IUPAC4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1
InChIInChI=1S/C16H19N9O/c1-11-2-4-12(5-3-11)14-21-23-25(22-14)10-13-18-15(17)20-16(19-13)24-6-8-26-9-7-24/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
InChIKeyHXBHDRKERDJSSI-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.30
Rot. Bonds4

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

4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1202671) has the molecular formula C16H19N9O and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1202671
Molecular FormulaC16H19N9O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1
InChIInChI=1S/C16H19N9O/c1-11-2-4-12(5-3-11)14-21-23-25(22-14)10-13-18-15(17)20-16(19-13)24-6-8-26-9-7-24/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
InChIKeyHXBHDRKERDJSSI-UHFFFAOYSA-N
XLogP0.30
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 1202671) is 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1.
What is the InChIKey of 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HXBHDRKERDJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9O/c1-11-2-4-12(5-3-11)14-21-23-25(22-14)10-13-18-15(17)20-16(19-13)24-6-8-26-9-7-24/h2-5H,6-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 353.39 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1202671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).