(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine

C11H14N4 — CID 162388544

IUPAC(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine
SMILESCN(C)[C@@H]1Cc2[nH]c3nccnc3c2C1
InChIInChI=1S/C11H14N4/c1-15(2)7-5-8-9(6-7)14-11-10(8)12-3-4-13-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyHQKFVNJWHUQEBX-ZETCQYMHSA-N
MW202.26 g/mol
LogP0.99
Rot. Bonds1

About (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine

(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine (PubChem CID 162388544) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine.

Molecular Properties

Compound Name(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine
PubChem CID162388544
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine
SMILESCN(C)[C@@H]1Cc2[nH]c3nccnc3c2C1
InChIInChI=1S/C11H14N4/c1-15(2)7-5-8-9(6-7)14-11-10(8)12-3-4-13-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyHQKFVNJWHUQEBX-ZETCQYMHSA-N
XLogP0.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine?
The IUPAC name of (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine (CID 162388544) is (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine.
What is the SMILES notation for (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine?
The canonical SMILES for (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine is CN(C)[C@@H]1Cc2[nH]c3nccnc3c2C1.
What is the InChIKey of (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine?
The InChIKey is HQKFVNJWHUQEBX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4/c1-15(2)7-5-8-9(6-7)14-11-10(8)12-3-4-13-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine?
(4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine has a molecular weight of 202.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-dimethyl-7,9,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-4-amine is sourced from PubChem (CID 162388544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).