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

C10H16N6 — CID 154787534

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESCc1cc(C)n(Cc2nc(N(C)C)n[nH]2)n1
InChIInChI=1S/C10H16N6/c1-7-5-8(2)16(14-7)6-9-11-10(13-12-9)15(3)4/h5H,6H2,1-4H3,(H,11,12,13)
InChIKeyHHMPHLQFVNBVPZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.73
Rot. Bonds3

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine (PubChem CID 154787534) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
PubChem CID154787534
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESCc1cc(C)n(Cc2nc(N(C)C)n[nH]2)n1
InChIInChI=1S/C10H16N6/c1-7-5-8(2)16(14-7)6-9-11-10(13-12-9)15(3)4/h5H,6H2,1-4H3,(H,11,12,13)
InChIKeyHHMPHLQFVNBVPZ-UHFFFAOYSA-N
XLogP0.73
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3,5-dimethylpyrazole
CID 565993
copper;2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[6-[(3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine;dibromide;trihydrate
CID 139151836
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 5144745
2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80654966
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
CID 83183212
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111026946
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62448147
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzaldehyde
CID 166920797

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine (CID 154787534) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine is Cc1cc(C)n(Cc2nc(N(C)C)n[nH]2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The InChIKey is HHMPHLQFVNBVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7-5-8(2)16(14-7)6-9-11-10(13-12-9)15(3)4/h5H,6H2,1-4H3,(H,11,12,13).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine has a molecular weight of 220.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 154787534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).