N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine

C10H16N6 — CID 112596888

IUPACN,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cn[nH]c2C)n1CC
InChIInChI=1S/C10H16N6/c1-4-11-10-15-14-9(16(10)5-2)8-6-12-13-7(8)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyUPIRMCBYAJMXIH-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.43
Rot. Bonds4

About N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine (PubChem CID 112596888) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
PubChem CID112596888
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(-c2cn[nH]c2C)n1CC
InChIInChI=1S/C10H16N6/c1-4-11-10-15-14-9(16(10)5-2)8-6-12-13-7(8)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyUPIRMCBYAJMXIH-UHFFFAOYSA-N
XLogP1.43
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,5-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596670
N,4-diethyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 112596836
5-(1,3-dimethylpyrazol-4-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 102801445
N,4-diethyl-5-naphthalen-1-yl-1,2,4-triazol-3-amine
CID 115945502
5-(2-chloro-4-methylphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 106860889
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 112596812
2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-4-methylphenol
CID 136926765
N,4-diethyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117517
5-[2-amino-4-(trifluoromethyl)phenyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 115945516
5-(2-amino-3,5-dichlorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597405
5-(2-amino-5-bromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597483

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine (CID 112596888) is N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine is CCNc1nnc(-c2cn[nH]c2C)n1CC.
What is the InChIKey of N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine?
The InChIKey is UPIRMCBYAJMXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-4-11-10-15-14-9(16(10)5-2)8-6-12-13-7(8)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13).
What are the key properties of N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine has a molecular weight of 220.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).