3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine

C19H18N8O — CID 58399293

IUPAC3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2nnn(Cc3ccc(COc4ccccn4)cc3)n2)c(N)n1
InChIInChI=1S/C19H18N8O/c20-16-9-8-15(18(21)23-16)19-24-26-27(25-19)11-13-4-6-14(7-5-13)12-28-17-3-1-2-10-22-17/h1-10H,11-12H2,(H4,20,21,23)
InChIKeyBSMSZCVAADHMCH-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.92
Rot. Bonds6

About 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine

3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine (PubChem CID 58399293) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine
PubChem CID58399293
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2nnn(Cc3ccc(COc4ccccn4)cc3)n2)c(N)n1
InChIInChI=1S/C19H18N8O/c20-16-9-8-15(18(21)23-16)19-24-26-27(25-19)11-13-4-6-14(7-5-13)12-28-17-3-1-2-10-22-17/h1-10H,11-12H2,(H4,20,21,23)
InChIKeyBSMSZCVAADHMCH-UHFFFAOYSA-N
XLogP1.92
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine?
The IUPAC name of 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine (CID 58399293) is 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine is Nc1ccc(-c2nnn(Cc3ccc(COc4ccccn4)cc3)n2)c(N)n1.
What is the InChIKey of 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine?
The InChIKey is BSMSZCVAADHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c20-16-9-8-15(18(21)23-16)19-24-26-27(25-19)11-13-4-6-14(7-5-13)12-28-17-3-1-2-10-22-17/h1-10H,11-12H2,(H4,20,21,23).
What are the key properties of 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine?
3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine has a molecular weight of 374.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]tetrazol-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 58399293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).