N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H21N5 — CID 23608690

IUPACN,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccccc2)n2nc(Cc3ccccc3)nc2n1
InChIInChI=1S/C21H21N5/c1-16-13-20(25(2)15-18-11-7-4-8-12-18)26-21(22-16)23-19(24-26)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3
InChIKeySSZUPKDVHPDKAV-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.66
Rot. Bonds5

About N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23608690) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID23608690
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2ccccc2)n2nc(Cc3ccccc3)nc2n1
InChIInChI=1S/C21H21N5/c1-16-13-20(25(2)15-18-11-7-4-8-12-18)26-21(22-16)23-19(24-26)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3
InChIKeySSZUPKDVHPDKAV-UHFFFAOYSA-N
XLogP3.66
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 23608690) is N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)Cc2ccccc2)n2nc(Cc3ccccc3)nc2n1.
What is the InChIKey of N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SSZUPKDVHPDKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-16-13-20(25(2)15-18-11-7-4-8-12-18)26-21(22-16)23-19(24-26)14-17-9-5-3-6-10-17/h3-13H,14-15H2,1-2H3.
What are the key properties of N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dibenzyl-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23608690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).