N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine

C12H20N6 — CID 112596806

IUPACN,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cc(CC)nn2C)n1CC
InChIInChI=1S/C12H20N6/c1-5-9-8-10(17(4)16-9)11-14-15-12(13-6-2)18(11)7-3/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyYIUOTDSEKNGYEI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.69
Rot. Bonds5

About N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine (PubChem CID 112596806) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine
PubChem CID112596806
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cc(CC)nn2C)n1CC
InChIInChI=1S/C12H20N6/c1-5-9-8-10(17(4)16-9)11-14-15-12(13-6-2)18(11)7-3/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyYIUOTDSEKNGYEI-UHFFFAOYSA-N
XLogP1.69
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine
CID 112596908
5-(1,5-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596670
3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115394957
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811
5-(3-bromo-5-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 104851072
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
2-[[5-(3-ethyl-1-methylpyrazol-5-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391965
5-(3-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597550
3-(3-ethyl-1-methylpyrazol-5-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390133

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine (CID 112596806) is N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine is CCNc1nnc(-c2cc(CC)nn2C)n1CC.
What is the InChIKey of N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine?
The InChIKey is YIUOTDSEKNGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-9-8-10(17(4)16-9)11-14-15-12(13-6-2)18(11)7-3/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine has a molecular weight of 248.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).