2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

C8H7ClN4 — CID 14852616

IUPAC2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESClc1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C8H7ClN4/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3H2
InChIKeyZAOHDQKVABHSOW-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.27
Rot. Bonds

About 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 14852616) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID14852616
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESClc1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C8H7ClN4/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3H2
InChIKeyZAOHDQKVABHSOW-UHFFFAOYSA-N
XLogP1.27
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene with MolForge

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Related Compounds

7-Chloro-5-cyclopropyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 63358162
4-chloro-5H,6H,7H-cyclopenta[d]pyrimidine
CID 13312449
7-Chloro-5,6-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 15516618
7-Chloro-5-(propan-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16767830
7-Chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768034
7-Chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16768222
5-Tert-butyl-7-chloro-(1,2,4)triazolo(1,5-a)pyrimidine
CID 16768271
6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
CID 8741413
N-prop-2-ynyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 43816949
4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 72144363
N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 46094592
2-(Azonan-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 46096739

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 14852616) is 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is Clc1c2c(nc3ncnn13)CCC2.
What is the InChIKey of 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is ZAOHDQKVABHSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3H2.
What are the key properties of 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 194.62 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 14852616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).