1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C10H16N6 — CID 102803970

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nn(C)cc1C(N)Cc1ncnn1C
InChIInChI=1S/C10H16N6/c1-7-8(5-15(2)14-7)9(11)4-10-12-6-13-16(10)3/h5-6,9H,4,11H2,1-3H3
InChIKeyZCDPQRNFOYCGME-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.10
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 102803970) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID102803970
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1nn(C)cc1C(N)Cc1ncnn1C
InChIInChI=1S/C10H16N6/c1-7-8(5-15(2)14-7)9(11)4-10-12-6-13-16(10)3/h5-6,9H,4,11H2,1-3H3
InChIKeyZCDPQRNFOYCGME-UHFFFAOYSA-N
XLogP0.10
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 102805022
1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159432
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
2-(2,6-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803154
1-(5-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997957
1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159465
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997938
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
1-(2-chloro-3-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997772
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 102803970) is 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is Cc1nn(C)cc1C(N)Cc1ncnn1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is ZCDPQRNFOYCGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7-8(5-15(2)14-7)9(11)4-10-12-6-13-16(10)3/h5-6,9H,4,11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 102803970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).