1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine

C13H14N6 — CID 90079689

IUPAC1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2cncc3nnc4[nH]ccc4c23)C1
InChIInChI=1S/C13H14N6/c14-8-2-4-19(7-8)11-6-15-5-10-12(11)9-1-3-16-13(9)18-17-10/h1,3,5-6,8H,2,4,7,14H2,(H,16,18)
InChIKeyZWRQVNWCFZERLT-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.04
Rot. Bonds1

About 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine

1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine (PubChem CID 90079689) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine
PubChem CID90079689
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2cncc3nnc4[nH]ccc4c23)C1
InChIInChI=1S/C13H14N6/c14-8-2-4-19(7-8)11-6-15-5-10-12(11)9-1-3-16-13(9)18-17-10/h1,3,5-6,8H,2,4,7,14H2,(H,16,18)
InChIKeyZWRQVNWCFZERLT-UHFFFAOYSA-N
XLogP1.04
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine (CID 90079689) is 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine is NC1CCN(c2cncc3nnc4[nH]ccc4c23)C1.
What is the InChIKey of 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine?
The InChIKey is ZWRQVNWCFZERLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-8-2-4-19(7-8)11-6-15-5-10-12(11)9-1-3-16-13(9)18-17-10/h1,3,5-6,8H,2,4,7,14H2,(H,16,18).
What are the key properties of 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine?
1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine has a molecular weight of 254.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine is sourced from PubChem (CID 90079689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).