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

C13H19N5 — CID 46094592

IUPACN-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCCN(CC)c1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C13H19N5/c1-3-8-17(4-2)12-10-6-5-7-11(10)16-13-14-9-15-18(12)13/h9H,3-8H2,1-2H3
InChIKeyUFSIGHLVKTUXEI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.85
Rot. Bonds4

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

N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 46094592) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID46094592
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCCN(CC)c1c2c(nc3ncnn13)CCC2
InChIInChI=1S/C13H19N5/c1-3-8-17(4-2)12-10-6-5-7-11(10)16-13-14-9-15-18(12)13/h9H,3-8H2,1-2H3
InChIKeyUFSIGHLVKTUXEI-UHFFFAOYSA-N
XLogP1.85
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazine
CID 91799414
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12-Cyclopentyl-5,10-diethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 46094592) is N-ethyl-N-propyl-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-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is CCCN(CC)c1c2c(nc3ncnn13)CCC2.
What is the InChIKey of N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is UFSIGHLVKTUXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-8-17(4-2)12-10-6-5-7-11(10)16-13-14-9-15-18(12)13/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 46094592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).