12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

C14H13N5O — CID 141387848

IUPAC12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESCn1ccnc1C1CNc2cccc3c(=O)[nH]nc1c23
InChIInChI=1S/C14H13N5O/c1-19-6-5-15-13(19)9-7-16-10-4-2-3-8-11(10)12(9)17-18-14(8)20/h2-6,9,16H,7H2,1H3,(H,18,20)
InChIKeyYEUHJGIZUVRJQJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.21
Rot. Bonds1

About 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (PubChem CID 141387848) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.

Molecular Properties

Compound Name12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
PubChem CID141387848
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESCn1ccnc1C1CNc2cccc3c(=O)[nH]nc1c23
InChIInChI=1S/C14H13N5O/c1-19-6-5-15-13(19)9-7-16-10-4-2-3-8-11(10)12(9)17-18-14(8)20/h2-6,9,16H,7H2,1H3,(H,18,20)
InChIKeyYEUHJGIZUVRJQJ-UHFFFAOYSA-N
XLogP1.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The IUPAC name of 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (CID 141387848) is 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.
What is the SMILES notation for 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The canonical SMILES for 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is Cn1ccnc1C1CNc2cccc3c(=O)[nH]nc1c23.
What is the InChIKey of 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The InChIKey is YEUHJGIZUVRJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-19-6-5-15-13(19)9-7-16-10-4-2-3-8-11(10)12(9)17-18-14(8)20/h2-6,9,16H,7H2,1H3,(H,18,20).
What are the key properties of 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1-methylimidazol-2-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is sourced from PubChem (CID 141387848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).