N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C12H17N5 — CID 1234196

IUPACN,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCN(CC)c1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C12H17N5/c1-3-16(4-2)11-9-6-5-7-10(9)15-12-13-8-14-17(11)12/h8H,3-7H2,1-2H3
InChIKeyVVOJSVZUAARCRD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.46
Rot. Bonds3

About N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 1234196) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID1234196
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCN(CC)c1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C12H17N5/c1-3-16(4-2)11-9-6-5-7-10(9)15-12-13-8-14-17(11)12/h8H,3-7H2,1-2H3
InChIKeyVVOJSVZUAARCRD-UHFFFAOYSA-N
XLogP1.46
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 1234196) is N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is CCN(CC)c1c2c(nc3ncnn13)CCC2.
What is the InChIKey of N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is VVOJSVZUAARCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-16(4-2)11-9-6-5-7-10(9)15-12-13-8-14-17(11)12/h8H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 1234196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).