1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C10H16N6 — CID 65196877

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-7(9-5-16(3)15-8(9)2)11-4-10-12-6-13-14-10/h5-7,11H,4H2,1-3H3,(H,12,13,14)
InChIKeyICKNGWHBVXVEMA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.70
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 65196877) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID65196877
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-7(9-5-16(3)15-8(9)2)11-4-10-12-6-13-14-10/h5-7,11H,4H2,1-3H3,(H,12,13,14)
InChIKeyICKNGWHBVXVEMA-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 65196877) is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is Cc1nn(C)cc1C(C)NCc1ncn[nH]1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is ICKNGWHBVXVEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7(9-5-16(3)15-8(9)2)11-4-10-12-6-13-14-10/h5-7,11H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 65196877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).