5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine

C11H16N6 — CID 114985339

IUPAC5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2ccn[nH]2)nc1CC
InChIInChI=1S/C11H16N6/c1-3-9-10(4-2)16-17-11(14-9)12-7-8-5-6-13-15-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)(H,12,14,17)
InChIKeyNHWOPBHQJOZURS-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.33
Rot. Bonds5

About 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 114985339) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID114985339
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCc2ccn[nH]2)nc1CC
InChIInChI=1S/C11H16N6/c1-3-9-10(4-2)16-17-11(14-9)12-7-8-5-6-13-15-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)(H,12,14,17)
InChIKeyNHWOPBHQJOZURS-UHFFFAOYSA-N
XLogP1.33
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 105362468
3-ethyl-1-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 115898042
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
3-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277126
5,6-diethyl-N-(thiophen-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362410
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
2-methyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 43662218
5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
CID 105362674
5,6-diethyl-N-[(3-ethylthiophen-2-yl)methyl]-1,2,4-triazin-3-amine
CID 105362737
6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194409
5,6-diethyl-N-[(2-nitrophenyl)methyl]-1,2,4-triazin-3-amine
CID 105362579
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine (CID 114985339) is 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine is CCc1nnc(NCc2ccn[nH]2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is NHWOPBHQJOZURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-9-10(4-2)16-17-11(14-9)12-7-8-5-6-13-15-8/h5-6H,3-4,7H2,1-2H3,(H,13,15)(H,12,14,17).
What are the key properties of 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 114985339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).