[4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine

C14H16N6O — CID 57391919

IUPAC[4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ncnc3[nH]c4cnccc4c23)CCO1
InChIInChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)
InChIKeyZOMFTMSIQWYIQV-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.67
Rot. Bonds2

About [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine

[4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine (PubChem CID 57391919) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine
PubChem CID57391919
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name[4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(c2ncnc3[nH]c4cnccc4c23)CCO1
InChIInChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)
InChIKeyZOMFTMSIQWYIQV-UHFFFAOYSA-N
XLogP0.67
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine (CID 57391919) is [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine is NCC1CN(c2ncnc3[nH]c4cnccc4c23)CCO1.
What is the InChIKey of [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine?
The InChIKey is ZOMFTMSIQWYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19).
What are the key properties of [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine?
[4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine has a molecular weight of 284.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 57391919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).