N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine

C19H22N6 — CID 166363143

IUPACN-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
SMILESCC1=CCN(CCNc2cc(-c3ccccc3)n3ncnc3n2)CC1
InChIInChI=1S/C19H22N6/c1-15-7-10-24(11-8-15)12-9-20-18-13-17(16-5-3-2-4-6-16)25-19(23-18)21-14-22-25/h2-7,13-14H,8-12H2,1H3,(H,20,21,22,23)
InChIKeyRJZAKWORKMWTNQ-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine

N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine (PubChem CID 166363143) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
PubChem CID166363143
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
SMILESCC1=CCN(CCNc2cc(-c3ccccc3)n3ncnc3n2)CC1
InChIInChI=1S/C19H22N6/c1-15-7-10-24(11-8-15)12-9-20-18-13-17(16-5-3-2-4-6-16)25-19(23-18)21-14-22-25/h2-7,13-14H,8-12H2,1H3,(H,20,21,22,23)
InChIKeyRJZAKWORKMWTNQ-UHFFFAOYSA-N
XLogP2.86
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine (CID 166363143) is N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine is CC1=CCN(CCNc2cc(-c3ccccc3)n3ncnc3n2)CC1.
What is the InChIKey of N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is RJZAKWORKMWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-15-7-10-24(11-8-15)12-9-20-18-13-17(16-5-3-2-4-6-16)25-19(23-18)21-14-22-25/h2-7,13-14H,8-12H2,1H3,(H,20,21,22,23).
What are the key properties of N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 334.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 166363143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).