1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

C9H14N6 — CID 106281607

IUPAC1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C9H14N6/c1-6(8-3-4-11-14-8)13-7(2)9-10-5-12-15-9/h3-7,13H,1-2H3,(H,11,14)(H,10,12,15)
InChIKeyOEQKGQNPMJGOJJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.94
Rot. Bonds4

About 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 106281607) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID106281607
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C9H14N6/c1-6(8-3-4-11-14-8)13-7(2)9-10-5-12-15-9/h3-7,13H,1-2H3,(H,11,14)(H,10,12,15)
InChIKeyOEQKGQNPMJGOJJ-UHFFFAOYSA-N
XLogP0.94
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolyl[1,2,4]triazole
CID 69840360
1-Butyl-2-[(1-methylimidazol-2-yl)methyl]-3-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine
CID 71865972
2-propan-2-yl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrimidin-4-amine
CID 138024217
5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole
CID 91371822
2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 91544987
1-[1-(1H-pyrazol-3-yl)ethyl]-1H-1,2,4-triazole
CID 2768598
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866839
N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95527687
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95527689
6-ethyl-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 103879851
2-(2-ethylpyrazol-3-yl)-N-[[3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]-N-methylethanamine
CID 137953849
5-(5-methyl-1H-pyrazol-3-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 154788365

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 106281607) is 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is CC(NC(C)c1ncn[nH]1)c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is OEQKGQNPMJGOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-6(8-3-4-11-14-8)13-7(2)9-10-5-12-15-9/h3-7,13H,1-2H3,(H,11,14)(H,10,12,15).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106281607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).