1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene

C10H14N4 — CID 153409627

IUPAC1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
SMILESc1ncc2c(n1)N1CCNCC1CC2
InChIInChI=1S/C10H14N4/c1-2-9-6-11-3-4-14(9)10-8(1)5-12-7-13-10/h5,7,9,11H,1-4,6H2
InChIKeyRGGWECJLJREZDK-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.20
Rot. Bonds

About 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene

1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (PubChem CID 153409627) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
PubChem CID153409627
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
SMILESc1ncc2c(n1)N1CCNCC1CC2
InChIInChI=1S/C10H14N4/c1-2-9-6-11-3-4-14(9)10-8(1)5-12-7-13-10/h5,7,9,11H,1-4,6H2
InChIKeyRGGWECJLJREZDK-UHFFFAOYSA-N
XLogP0.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Piperidin-4-yl)pyrimidine
CID 24904194
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-Propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
2-(4-Propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 23602249
5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidin-2-amine
CID 13404586
5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidine
CID 19828393
5-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480
5-ethyl-N-[(3S)-1-propylpiperidin-3-yl]pyrimidin-2-amine
CID 97186977
5-ethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 97197180
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-5-propylpyrimidin-2-amine
CID 129619757
5-(3-Fluoropiperidin-2-yl)pyrimidine-2,4-diamine
CID 53931019
2-(4,4-Difluoropiperidin-1-yl)-2-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine
CID 58228408

Frequently Asked Questions

What is the IUPAC name of 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The IUPAC name of 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene (CID 153409627) is 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene.
What is the SMILES notation for 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The canonical SMILES for 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene is c1ncc2c(n1)N1CCNCC1CC2.
What is the InChIKey of 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
The InChIKey is RGGWECJLJREZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-9-6-11-3-4-14(9)10-8(1)5-12-7-13-10/h5,7,9,11H,1-4,6H2.
What are the key properties of 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene?
1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene has a molecular weight of 190.25 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene is sourced from PubChem (CID 153409627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).