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

C22H27Cl2N7 — CID 16679490

IUPAC4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine
SMILESCC(C)N1CCCN(c2ncccc2CNc2nncn2-c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H27Cl2N7/c1-16(2)29-10-5-11-30(13-12-29)21-17(6-4-9-25-21)14-26-22-28-27-15-31(22)19-8-3-7-18(23)20(19)24/h3-4,6-9,15-16H,5,10-14H2,1-2H3,(H,26,28)
InChIKeyUBJVAOYGNJJZDF-UHFFFAOYSA-N
MW460.41 g/mol
LogP4.50
Rot. Bonds6

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

4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine (PubChem CID 16679490) has the molecular formula C22H27Cl2N7 and a molecular weight of 460.41 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine
PubChem CID16679490
Molecular FormulaC22H27Cl2N7
Molecular Weight460.41 g/mol
Exact Mass459.17
IUPAC Name4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine
SMILESCC(C)N1CCCN(c2ncccc2CNc2nncn2-c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H27Cl2N7/c1-16(2)29-10-5-11-30(13-12-29)21-17(6-4-9-25-21)14-26-22-28-27-15-31(22)19-8-3-7-18(23)20(19)24/h3-4,6-9,15-16H,5,10-14H2,1-2H3,(H,26,28)
InChIKeyUBJVAOYGNJJZDF-UHFFFAOYSA-N
XLogP4.50
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 16678190
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-(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
Tetrazole derivative 1
CID 68678249
2-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazol-3-amine
CID 25022679
3-[1-(2,3-Dichlorophenyl)tetrazol-5-yl]pyridine
CID 155514958

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 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) is 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine is CC(C)N1CCCN(c2ncccc2CNc2nncn2-c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine?
The InChIKey is UBJVAOYGNJJZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N7/c1-16(2)29-10-5-11-30(13-12-29)21-17(6-4-9-25-21)14-26-22-28-27-15-31(22)19-8-3-7-18(23)20(19)24/h3-4,6-9,15-16H,5,10-14H2,1-2H3,(H,26,28).
What are the key properties of 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine?
4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine has a molecular weight of 460.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 16679490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).