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

C12H20N6 — CID 112596908

IUPACN,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2c(C)nn(C)c2C)n1CC
InChIInChI=1S/C12H20N6/c1-6-13-12-15-14-11(18(12)7-2)10-8(3)16-17(5)9(10)4/h6-7H2,1-5H3,(H,13,15)
InChIKeyVUQITPZCMXMTAR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds4

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

N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine (PubChem CID 112596908) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine
PubChem CID112596908
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2c(C)nn(C)c2C)n1CC
InChIInChI=1S/C12H20N6/c1-6-13-12-15-14-11(18(12)7-2)10-8(3)16-17(5)9(10)4/h6-7H2,1-5H3,(H,13,15)
InChIKeyVUQITPZCMXMTAR-UHFFFAOYSA-N
XLogP1.75
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
N,4-diethyl-5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-triazol-3-amine
CID 112596806
5-(2,6-difluoro-3-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596641
N-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyridazin-3-amine
CID 62202694
4-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-1-methylpyridin-2-one
CID 114039678
N,4-diethyl-5-(5-methylthiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596811
3-N,4-diethyl-1,2,4-triazole-3,5-diamine
CID 112597568
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
CID 112597376
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 114282225

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine (CID 112596908) is N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine is CCNc1nnc(-c2c(C)nn(C)c2C)n1CC.
What is the InChIKey of N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine?
The InChIKey is VUQITPZCMXMTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-6-13-12-15-14-11(18(12)7-2)10-8(3)16-17(5)9(10)4/h6-7H2,1-5H3,(H,13,15).
What are the key properties of N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine has a molecular weight of 248.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).