3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine

C14H18N4O — CID 102984701

IUPAC3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine
SMILESCC1(CNc2nc3ccccc3nc2N)CCCO1
InChIInChI=1S/C14H18N4O/c1-14(7-4-8-19-14)9-16-13-12(15)17-10-5-2-3-6-11(10)18-13/h2-3,5-6H,4,7-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyHZCOTRKFXPTDEO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds3

About 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine

3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine (PubChem CID 102984701) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine
PubChem CID102984701
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine
SMILESCC1(CNc2nc3ccccc3nc2N)CCCO1
InChIInChI=1S/C14H18N4O/c1-14(7-4-8-19-14)9-16-13-12(15)17-10-5-2-3-6-11(10)18-13/h2-3,5-6H,4,7-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyHZCOTRKFXPTDEO-UHFFFAOYSA-N
XLogP2.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine (CID 102984701) is 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine is CC1(CNc2nc3ccccc3nc2N)CCCO1.
What is the InChIKey of 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine?
The InChIKey is HZCOTRKFXPTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(7-4-8-19-14)9-16-13-12(15)17-10-5-2-3-6-11(10)18-13/h2-3,5-6H,4,7-9H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine?
3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102984701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).