(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine

C12H20N4 — CID 138512565

IUPAC(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine
SMILESCC(C)n1nnc2c1CC[C@H]1C(N)[C@H]1CC2
InChIInChI=1S/C12H20N4/c1-7(2)16-11-6-4-9-8(12(9)13)3-5-10(11)14-15-16/h7-9,12H,3-6,13H2,1-2H3/t8-,9+,12?/m0/s1
InChIKeyFVWZBUWWIQSSCT-JIMHFIIXSA-N
MW220.32 g/mol
LogP1.31
Rot. Bonds1

About (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine

(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine (PubChem CID 138512565) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine.

Molecular Properties

Compound Name(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine
PubChem CID138512565
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine
SMILESCC(C)n1nnc2c1CC[C@H]1C(N)[C@H]1CC2
InChIInChI=1S/C12H20N4/c1-7(2)16-11-6-4-9-8(12(9)13)3-5-10(11)14-15-16/h7-9,12H,3-6,13H2,1-2H3/t8-,9+,12?/m0/s1
InChIKeyFVWZBUWWIQSSCT-JIMHFIIXSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine?
The IUPAC name of (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine (CID 138512565) is (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine.
What is the SMILES notation for (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine?
The canonical SMILES for (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine is CC(C)n1nnc2c1CC[C@H]1C(N)[C@H]1CC2.
What is the InChIKey of (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine?
The InChIKey is FVWZBUWWIQSSCT-JIMHFIIXSA-N. The full InChI is InChI=1S/C12H20N4/c1-7(2)16-11-6-4-9-8(12(9)13)3-5-10(11)14-15-16/h7-9,12H,3-6,13H2,1-2H3/t8-,9+,12?/m0/s1.
What are the key properties of (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine?
(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine has a molecular weight of 220.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-amine is sourced from PubChem (CID 138512565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).