N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5 — CID 177377400

IUPACN,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C)c1CCc1ccccc1
InChIInChI=1S/C16H19N5/c1-12-14(10-9-13-7-5-4-6-8-13)15(20(2)3)21-16(19-12)17-11-18-21/h4-8,11H,9-10H2,1-3H3
InChIKeyPGRBQTFBADUOBG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.28
Rot. Bonds4

About N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 177377400) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID177377400
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N(C)C)c1CCc1ccccc1
InChIInChI=1S/C16H19N5/c1-12-14(10-9-13-7-5-4-6-8-13)15(20(2)3)21-16(19-12)17-11-18-21/h4-8,11H,9-10H2,1-3H3
InChIKeyPGRBQTFBADUOBG-UHFFFAOYSA-N
XLogP2.28
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Bemitradine
CID 55784
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
(R)-Zinc-3573
CID 95882507
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
3MB-PP1
CID 24865390

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 177377400) is N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N(C)C)c1CCc1ccccc1.
What is the InChIKey of N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PGRBQTFBADUOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-14(10-9-13-7-5-4-6-8-13)15(20(2)3)21-16(19-12)17-11-18-21/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 281.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-6-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 177377400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).