N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H18ClN5 — CID 23608479

IUPACN-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccccc2)n2nc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C20H18ClN5/c1-14-12-18(25(2)13-15-6-4-3-5-7-15)26-20(22-14)23-19(24-26)16-8-10-17(21)11-9-16/h3-12H,13H2,1-2H3
InChIKeyKAHDDBVYLPGCNG-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.39
Rot. Bonds4

About N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23608479) has the molecular formula C20H18ClN5 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID23608479
Molecular FormulaC20H18ClN5
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccccc2)n2nc(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C20H18ClN5/c1-14-12-18(25(2)13-15-6-4-3-5-7-15)26-20(22-14)23-19(24-26)16-8-10-17(21)11-9-16/h3-12H,13H2,1-2H3
InChIKeyKAHDDBVYLPGCNG-UHFFFAOYSA-N
XLogP4.39
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 23608479) is N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)Cc2ccccc2)n2nc(-c3ccc(Cl)cc3)nc2n1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KAHDDBVYLPGCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5/c1-14-12-18(25(2)13-15-6-4-3-5-7-15)26-20(22-14)23-19(24-26)16-8-10-17(21)11-9-16/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 363.85 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23608479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).