5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine

C19H22N6 — CID 135573107

IUPAC5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
SMILESCN(C)c1ccc(C2Nc3ncnn3C(c3ccccc3)C2N)cc1
InChIInChI=1S/C19H22N6/c1-24(2)15-10-8-13(9-11-15)17-16(20)18(14-6-4-3-5-7-14)25-19(23-17)21-12-22-25/h3-12,16-18H,20H2,1-2H3,(H,21,22,23)
InChIKeyWXYHLZGFKWPBNJ-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.43
Rot. Bonds3

About 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine

5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine (PubChem CID 135573107) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
PubChem CID135573107
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
SMILESCN(C)c1ccc(C2Nc3ncnn3C(c3ccccc3)C2N)cc1
InChIInChI=1S/C19H22N6/c1-24(2)15-10-8-13(9-11-15)17-16(20)18(14-6-4-3-5-7-14)25-19(23-17)21-12-22-25/h3-12,16-18H,20H2,1-2H3,(H,21,22,23)
InChIKeyWXYHLZGFKWPBNJ-UHFFFAOYSA-N
XLogP2.43
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(5S,6S,7S)-5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
CID 136904620
(5R,6S,7S)-7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
CID 136857062
N-[(5R,6R,7R)-5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 136887933
N,N-dimethyl-4-[(5S,7R)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]aniline
CID 718349
(5S,6S,7S)-5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136934104
(7S)-7-[4-(dimethylamino)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137094031
N,N-dimethyl-4-[(5S,7R)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]aniline
CID 137168677
(5R,7S)-5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 718343
5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2947519
N,N-dimethyl-4-(5-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)aniline
CID 3954289
4-[5-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 178156441
(6S,9S)-9-[4-(dimethylamino)phenyl]-6-methyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135881657

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine (CID 135573107) is 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine is CN(C)c1ccc(C2Nc3ncnn3C(c3ccccc3)C2N)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is WXYHLZGFKWPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-24(2)15-10-8-13(9-11-15)17-16(20)18(14-6-4-3-5-7-14)25-19(23-17)21-12-22-25/h3-12,16-18H,20H2,1-2H3,(H,21,22,23).
What are the key properties of 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine?
5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 334.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 135573107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).