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

C17H21N9O — CID 1272711

IUPAC4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nnn(Cc3nc(N)nc(N4CCCCC4)n3)n2)cc1
InChIInChI=1S/C17H21N9O/c1-27-13-7-5-12(6-8-13)15-22-24-26(23-15)11-14-19-16(18)21-17(20-14)25-9-3-2-4-10-25/h5-8H,2-4,9-11H2,1H3,(H2,18,19,20,21)
InChIKeyFVWWBLWLYKCAJQ-UHFFFAOYSA-N
MW367.42 g/mol
LogP1.15
Rot. Bonds5

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

4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 1272711) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID1272711
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nnn(Cc3nc(N)nc(N4CCCCC4)n3)n2)cc1
InChIInChI=1S/C17H21N9O/c1-27-13-7-5-12(6-8-13)15-22-24-26(23-15)11-14-19-16(18)21-17(20-14)25-9-3-2-4-10-25/h5-8H,2-4,9-11H2,1H3,(H2,18,19,20,21)
InChIKeyFVWWBLWLYKCAJQ-UHFFFAOYSA-N
XLogP1.15
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 1272711) is 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is COc1ccc(-c2nnn(Cc3nc(N)nc(N4CCCCC4)n3)n2)cc1.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FVWWBLWLYKCAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O/c1-27-13-7-5-12(6-8-13)15-22-24-26(23-15)11-14-19-16(18)21-17(20-14)25-9-3-2-4-10-25/h5-8H,2-4,9-11H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 367.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1272711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).