N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine

C13H22N6 — CID 154752899

IUPACN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCCc1nn(C)c(CC)c1CNc1nc(C)nn1C
InChIInChI=1S/C13H22N6/c1-6-11-10(12(7-2)18(4)17-11)8-14-13-15-9(3)16-19(13)5/h6-8H2,1-5H3,(H,14,15,16)
InChIKeyRKLLFSOLCMIGRZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.59
Rot. Bonds5

About N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine

N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (PubChem CID 154752899) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
PubChem CID154752899
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCCc1nn(C)c(CC)c1CNc1nc(C)nn1C
InChIInChI=1S/C13H22N6/c1-6-11-10(12(7-2)18(4)17-11)8-14-13-15-9(3)16-19(13)5/h6-8H2,1-5H3,(H,14,15,16)
InChIKeyRKLLFSOLCMIGRZ-UHFFFAOYSA-N
XLogP1.59
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 109482212
3,5-diethyl-1,4-dimethylpyrazole
CID 44720131
3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 75433082
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795176
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 75389088
cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine
CID 97336565
3-tert-butyl-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 139008143
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 97058997
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 109402597
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 109479376
2-amino-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120993456
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 109401848

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (CID 154752899) is N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is CCc1nn(C)c(CC)c1CNc1nc(C)nn1C.
What is the InChIKey of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is RKLLFSOLCMIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-6-11-10(12(7-2)18(4)17-11)8-14-13-15-9(3)16-19(13)5/h6-8H2,1-5H3,(H,14,15,16).
What are the key properties of N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 262.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 154752899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).