2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine

C16H20N6 — CID 72909461

IUPAC2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2ccc(C)cc2-n2cccn2)nc1N(C)C
InChIInChI=1S/C16H20N6/c1-5-21-16(20(3)4)18-15(19-21)13-8-7-12(2)11-14(13)22-10-6-9-17-22/h6-11H,5H2,1-4H3
InChIKeyGKZJMJKKVVLLKY-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.53
Rot. Bonds4

About 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine

2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine (PubChem CID 72909461) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine
PubChem CID72909461
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2ccc(C)cc2-n2cccn2)nc1N(C)C
InChIInChI=1S/C16H20N6/c1-5-21-16(20(3)4)18-15(19-21)13-8-7-12(2)11-14(13)22-10-6-9-17-22/h6-11H,5H2,1-4H3
InChIKeyGKZJMJKKVVLLKY-UHFFFAOYSA-N
XLogP2.53
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol
CID 72890659
5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
CID 72868725
5-cyano-2-methyl-6-(4-methyl-2-pyrazol-1-ylphenyl)pyridine-3-carboxylic acid
CID 122564846
N-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-N-propylcyclopropanamine
CID 131903598
6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 121496518
4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50976695
bis((4-bromo-2-pyrazol-1-ylphenyl)-(4-methyl-2-pyrazol-1-ylphenyl)azanide);nickel(2+)
CID 139142452
4-methyl-2-pyrazol-1-ylbenzamide
CID 63810394
5-(5-methyl-2-pyrazol-1-ylphenyl)-2H-triazole-4-carboxamide
CID 169403148

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine (CID 72909461) is 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine is CCn1nc(-c2ccc(C)cc2-n2cccn2)nc1N(C)C.
What is the InChIKey of 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is GKZJMJKKVVLLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-5-21-16(20(3)4)18-15(19-21)13-8-7-12(2)11-14(13)22-10-6-9-17-22/h6-11H,5H2,1-4H3.
What are the key properties of 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine?
2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 296.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-5-(4-methyl-2-pyrazol-1-ylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 72909461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).