3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine

C11H16N6 — CID 65360457

IUPAC3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
SMILESCCNC(Cc1cnccc1N)c1ncn[nH]1
InChIInChI=1S/C11H16N6/c1-2-14-10(11-15-7-16-17-11)5-8-6-13-4-3-9(8)12/h3-4,6-7,10,14H,2,5H2,1H3,(H2,12,13)(H,15,16,17)
InChIKeyBZSAKOHHDZHWHZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.68
Rot. Bonds5

About 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine

3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine (PubChem CID 65360457) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
PubChem CID65360457
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
SMILESCCNC(Cc1cnccc1N)c1ncn[nH]1
InChIInChI=1S/C11H16N6/c1-2-14-10(11-15-7-16-17-11)5-8-6-13-4-3-9(8)12/h3-4,6-7,10,14H,2,5H2,1H3,(H2,12,13)(H,15,16,17)
InChIKeyBZSAKOHHDZHWHZ-UHFFFAOYSA-N
XLogP0.68
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(propylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 65360364
3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 105230663
3-[2-(ethylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-4-amine
CID 115530844
2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360450
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360132
3-[2-(2-bromo-3,4-difluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 107539227
3-[2-(4-bromo-2-fluorophenyl)-2-(ethylamino)ethyl]pyridin-4-amine
CID 114906574
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104802502
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360837
3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65360079
4-(4-amino-3-pyridinyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291301

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine (CID 65360457) is 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine is CCNC(Cc1cnccc1N)c1ncn[nH]1.
What is the InChIKey of 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
The InChIKey is BZSAKOHHDZHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-14-10(11-15-7-16-17-11)5-8-6-13-4-3-9(8)12/h3-4,6-7,10,14H,2,5H2,1H3,(H2,12,13)(H,15,16,17).
What are the key properties of 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine?
3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 65360457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).