(4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

C10H15N3 — CID 118320480

IUPAC(4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCn1nnc2c1CC[C@@H]1C[C@@H]1CC2
InChIInChI=1S/C10H15N3/c1-13-10-5-3-8-6-7(8)2-4-9(10)11-12-13/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyBNNWHFCNEDRONL-JGVFFNPUSA-N
MW177.25 g/mol
LogP1.33
Rot. Bonds

About (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

(4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 118320480) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name(4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID118320480
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCn1nnc2c1CC[C@@H]1C[C@@H]1CC2
InChIInChI=1S/C10H15N3/c1-13-10-5-3-8-6-7(8)2-4-9(10)11-12-13/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyBNNWHFCNEDRONL-JGVFFNPUSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 118320480) is (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is Cn1nnc2c1CC[C@@H]1C[C@@H]1CC2.
What is the InChIKey of (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is BNNWHFCNEDRONL-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H15N3/c1-13-10-5-3-8-6-7(8)2-4-9(10)11-12-13/h7-8H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
(4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 177.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 118320480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).