N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine

C26H26N8 — CID 102053446

IUPACN,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C26H26N8/c1-3-9-22(10-4-1)15-33-20-25(28-30-33)18-32(17-24-13-7-8-14-27-24)19-26-21-34(31-29-26)16-23-11-5-2-6-12-23/h1-14,20-21H,15-19H2
InChIKeyBSVMAGRMOGDXGD-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.56
Rot. Bonds10

About N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine

N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 102053446) has the molecular formula C26H26N8 and a molecular weight of 450.55 g/mol. Its IUPAC name is N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID102053446
Molecular FormulaC26H26N8
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC NameN,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C26H26N8/c1-3-9-22(10-4-1)15-33-20-25(28-30-33)18-32(17-24-13-7-8-14-27-24)19-26-21-34(31-29-26)16-23-11-5-2-6-12-23/h1-14,20-21H,15-19H2
InChIKeyBSVMAGRMOGDXGD-UHFFFAOYSA-N
XLogP3.56
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-Diphenylpyrazine
CID 220958
1,2,3-Triazole analogue, 27
CID 9833992
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
3-[4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155542000
3-[4-[[4-(3-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155564309
1-[[6-(2-Fluorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155522079
3-(4-Pyridin-2-yltriazol-1-yl)benzonitrile
CID 10236196
3-(4-Pyridin-2-yl-[1,2,3]triazol-2-yl)-benzonitrile
CID 10285980
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine (CID 102053446) is N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine is c1ccc(Cn2cc(CN(Cc3ccccn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1.
What is the InChIKey of N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is BSVMAGRMOGDXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8/c1-3-9-22(10-4-1)15-33-20-25(28-30-33)18-32(17-24-13-7-8-14-27-24)19-26-21-34(31-29-26)16-23-11-5-2-6-12-23/h1-14,20-21H,15-19H2.
What are the key properties of N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 450.55 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(1-benzyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 102053446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).