3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one

C14H18N4O2 — CID 63099867

IUPAC3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CCNC1CCOCC1
InChIInChI=1S/C14H18N4O2/c19-14-12-3-1-2-4-13(12)16-17-18(14)8-7-15-11-5-9-20-10-6-11/h1-4,11,15H,5-10H2
InChIKeyVUOXBMGKDWCWOC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.56
Rot. Bonds4

About 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one

3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one (PubChem CID 63099867) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one
PubChem CID63099867
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one
SMILESO=c1c2ccccc2nnn1CCNC1CCOCC1
InChIInChI=1S/C14H18N4O2/c19-14-12-3-1-2-4-13(12)16-17-18(14)8-7-15-11-5-9-20-10-6-11/h1-4,11,15H,5-10H2
InChIKeyVUOXBMGKDWCWOC-UHFFFAOYSA-N
XLogP0.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(4R)-1,3-dioxan-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 97317007
2-[oxan-4-yl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetic acid
CID 119211196
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440
N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 119613467
3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
CID 62566912
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-(9H-fluoren-9-ylmethyl)-1,2,3-benzotriazin-4-one
CID 11723833
5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
CID 91818533
3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 119488410
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
3-[2-(heptan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
CID 62566724
3-[3-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 139005823

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one (CID 63099867) is 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one is O=c1c2ccccc2nnn1CCNC1CCOCC1.
What is the InChIKey of 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is VUOXBMGKDWCWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-14-12-3-1-2-4-13(12)16-17-18(14)8-7-15-11-5-9-20-10-6-11/h1-4,11,15H,5-10H2.
What are the key properties of 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one?
3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 274.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-ylamino)ethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 63099867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).