N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine

C17H16Cl2N6 — CID 16678190

IUPACN-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
SMILESClc1cccc(-n2ncnc2NCc2cccnc2N2CCC2)c1Cl
InChIInChI=1S/C17H16Cl2N6/c18-13-5-1-6-14(15(13)19)25-17(22-11-23-25)21-10-12-4-2-7-20-16(12)24-8-3-9-24/h1-2,4-7,11H,3,8-10H2,(H,21,22,23)
InChIKeyODAGZNANNVQBHU-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.79
Rot. Bonds5

About N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine

N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine (PubChem CID 16678190) has the molecular formula C17H16Cl2N6 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
PubChem CID16678190
Molecular FormulaC17H16Cl2N6
Molecular Weight375.26 g/mol
Exact Mass374.08
IUPAC NameN-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
SMILESClc1cccc(-n2ncnc2NCc2cccnc2N2CCC2)c1Cl
InChIInChI=1S/C17H16Cl2N6/c18-13-5-1-6-14(15(13)19)25-17(22-11-23-25)21-10-12-4-2-7-20-16(12)24-8-3-9-24/h1-2,4-7,11H,3,8-10H2,(H,21,22,23)
InChIKeyODAGZNANNVQBHU-UHFFFAOYSA-N
XLogP3.79
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine with MolForge

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Related Compounds

1-(5-tert-Butyl-2-pyridin-2-yl-2H-pyrazol-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 9909170
3-[[1-(2,3-Dichloro-4-fluorophenyl)tetrazol-5-yl]methyl]pyridine
CID 11530593
3-{[1-(2,3-dichlorophenyl)-1H-tetraazol-5-yl]methyl}pyridine
CID 11630893
2-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
CID 16678191
2-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16678192
4-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679400
2-[4-[3-[[[4-(2,3-Dichlorophenyl)-1,2,4-triazol-3-yl]amino]methyl]-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 16679489
4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine
CID 16679490
4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
CID 16679493
4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679494
2-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679685
2-(2,3-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679686

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine (CID 16678190) is N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine is Clc1cccc(-n2ncnc2NCc2cccnc2N2CCC2)c1Cl.
What is the InChIKey of N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine?
The InChIKey is ODAGZNANNVQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6/c18-13-5-1-6-14(15(13)19)25-17(22-11-23-25)21-10-12-4-2-7-20-16(12)24-8-3-9-24/h1-2,4-7,11H,3,8-10H2,(H,21,22,23).
What are the key properties of N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine?
N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine has a molecular weight of 375.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 16678190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).