1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene

C9H13N3 — CID 118449685

IUPAC1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene
SMILESc1cc2n(c1)CC1NCCN1C2
InChIInChI=1S/C9H13N3/c1-2-8-6-12-5-3-10-9(12)7-11(8)4-1/h1-2,4,9-10H,3,5-7H2
InChIKeyVZAZBHHNEMCICP-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.23
Rot. Bonds

About 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene

1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene (PubChem CID 118449685) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene.

Molecular Properties

Compound Name1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene
PubChem CID118449685
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene
SMILESc1cc2n(c1)CC1NCCN1C2
InChIInChI=1S/C9H13N3/c1-2-8-6-12-5-3-10-9(12)7-11(8)4-1/h1-2,4,9-10H,3,5-7H2
InChIKeyVZAZBHHNEMCICP-UHFFFAOYSA-N
XLogP0.23
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
CID 57357847
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CID 174246085
(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 134962236
(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049370
(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049356
1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 170425491
1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
CID 71298527
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 25215501
(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 826742
(6S)-6-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 172615572
6-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 172615340
(4S)-2-(oxan-4-yl)-4-pyridin-3-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 124909546

Frequently Asked Questions

What is the IUPAC name of 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene?
The IUPAC name of 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene (CID 118449685) is 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene.
What is the SMILES notation for 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene?
The canonical SMILES for 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene is c1cc2n(c1)CC1NCCN1C2.
What is the InChIKey of 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene?
The InChIKey is VZAZBHHNEMCICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-8-6-12-5-3-10-9(12)7-11(8)4-1/h1-2,4,9-10H,3,5-7H2.
What are the key properties of 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene?
1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene has a molecular weight of 163.22 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene is sourced from PubChem (CID 118449685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).