3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

C18H23N7 — CID 133449404

IUPAC3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESCC1CCN(c2nc3ccccc3nc2NCCn2ccnn2)CC1
InChIInChI=1S/C18H23N7/c1-14-6-10-24(11-7-14)18-17(19-8-12-25-13-9-20-23-25)21-15-4-2-3-5-16(15)22-18/h2-5,9,13-14H,6-8,10-12H2,1H3,(H,19,21)
InChIKeyHWJWGUJTLFOUOM-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.57
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine

3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (PubChem CID 133449404) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
PubChem CID133449404
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
SMILESCC1CCN(c2nc3ccccc3nc2NCCn2ccnn2)CC1
InChIInChI=1S/C18H23N7/c1-14-6-10-24(11-7-14)18-17(19-8-12-25-13-9-20-23-25)21-15-4-2-3-5-16(15)22-18/h2-5,9,13-14H,6-8,10-12H2,1H3,(H,19,21)
InChIKeyHWJWGUJTLFOUOM-UHFFFAOYSA-N
XLogP2.57
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449275
3-morpholin-4-yl-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449306
N-methyl-3-[4-(methylamino)piperidin-1-yl]quinoxalin-2-amine
CID 71642821
3-methyl-1-[2-(triazol-1-yl)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133449504
N-[2-(triazol-1-yl)ethyl]-2,1-benzothiazol-3-amine
CID 113375085
5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 126979390
1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
CID 71648035
3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 61375423
3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 62734731
3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 61241448
N-[3-[(R)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine
CID 97329487
N-[3-[(S)-methylsulfinyl]propyl]-3-morpholin-4-ylquinoxalin-2-amine
CID 97329488

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine (CID 133449404) is 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is CC1CCN(c2nc3ccccc3nc2NCCn2ccnn2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
The InChIKey is HWJWGUJTLFOUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-14-6-10-24(11-7-14)18-17(19-8-12-25-13-9-20-23-25)21-15-4-2-3-5-16(15)22-18/h2-5,9,13-14H,6-8,10-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine?
3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 133449404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).