2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid

C10H10N4O2 — CID 103201012

IUPAC2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid
SMILESO=C(O)Cc1nc2ncc3c(n2n1)CCC3
InChIInChI=1S/C10H10N4O2/c15-9(16)4-8-12-10-11-5-6-2-1-3-7(6)14(10)13-8/h5H,1-4H2,(H,15,16)
InChIKeySTAXDTLDSYPBKD-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.24
Rot. Bonds2

About 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid

2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid (PubChem CID 103201012) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid.

Molecular Properties

Compound Name2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid
PubChem CID103201012
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid
SMILESO=C(O)Cc1nc2ncc3c(n2n1)CCC3
InChIInChI=1S/C10H10N4O2/c15-9(16)4-8-12-10-11-5-6-2-1-3-7(6)14(10)13-8/h5H,1-4H2,(H,15,16)
InChIKeySTAXDTLDSYPBKD-UHFFFAOYSA-N
XLogP0.24
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol
CID 21019573
methyl 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxylate
CID 103200442
2-(7-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 103201006
2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201002
11-(4-methoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 66498200
ethyl 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200745
2-[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201086
2-[7-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201076
ethyl 4-formyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-11-carboxylate
CID 87549713
11-methyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 66498173
11-chloro-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 175898258
11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
CID 171343334

Frequently Asked Questions

What is the IUPAC name of 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid?
The IUPAC name of 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid (CID 103201012) is 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid.
What is the SMILES notation for 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid?
The canonical SMILES for 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid is O=C(O)Cc1nc2ncc3c(n2n1)CCC3.
What is the InChIKey of 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid?
The InChIKey is STAXDTLDSYPBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-9(16)4-8-12-10-11-5-6-2-1-3-7(6)14(10)13-8/h5H,1-4H2,(H,15,16).
What are the key properties of 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid?
2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl)acetic acid is sourced from PubChem (CID 103201012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).