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

C13H21N3 — CID 163564536

IUPAC(4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCCCn1nnc2c1CC[C@H]1C[C@@]1(C)CC2
InChIInChI=1S/C13H21N3/c1-3-8-16-12-5-4-10-9-13(10,2)7-6-11(12)14-15-16/h10H,3-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyFUBLMXGVYYRLOK-GXFFZTMASA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds2

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

(4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 163564536) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name(4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID163564536
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCCCn1nnc2c1CC[C@H]1C[C@@]1(C)CC2
InChIInChI=1S/C13H21N3/c1-3-8-16-12-5-4-10-9-13(10,2)7-6-11(12)14-15-16/h10H,3-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyFUBLMXGVYYRLOK-GXFFZTMASA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 163564536) is (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is CCCn1nnc2c1CC[C@H]1C[C@@]1(C)CC2.
What is the InChIKey of (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is FUBLMXGVYYRLOK-GXFFZTMASA-N. The full InChI is InChI=1S/C13H21N3/c1-3-8-16-12-5-4-10-9-13(10,2)7-6-11(12)14-15-16/h10H,3-9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
(4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 219.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-methyl-12-propyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 163564536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).