13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile

C15H13N5O — CID 53250872

IUPAC13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
SMILESN#Cc1cc2c(cn1)[nH]c1nccc(N3CC[C@@H](O)C3)c12
InChIInChI=1S/C15H13N5O/c16-6-9-5-11-12(7-18-9)19-15-14(11)13(1-3-17-15)20-4-2-10(21)8-20/h1,3,5,7,10,21H,2,4,8H2,(H,17,19)/t10-/m1/s1
InChIKeyIXXFFHGDAFKARL-SNVBAGLBSA-N
MW279.30 g/mol
LogP1.55
Rot. Bonds1

About 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile

13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile (PubChem CID 53250872) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile.

Molecular Properties

Compound Name13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
PubChem CID53250872
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
SMILESN#Cc1cc2c(cn1)[nH]c1nccc(N3CC[C@@H](O)C3)c12
InChIInChI=1S/C15H13N5O/c16-6-9-5-11-12(7-18-9)19-15-14(11)13(1-3-17-15)20-4-2-10(21)8-20/h1,3,5,7,10,21H,2,4,8H2,(H,17,19)/t10-/m1/s1
InChIKeyIXXFFHGDAFKARL-SNVBAGLBSA-N
XLogP1.55
TPSA88.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile 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 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
The IUPAC name of 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile (CID 53250872) is 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile.
What is the SMILES notation for 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
The canonical SMILES for 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile is N#Cc1cc2c(cn1)[nH]c1nccc(N3CC[C@@H](O)C3)c12.
What is the InChIKey of 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
The InChIKey is IXXFFHGDAFKARL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13N5O/c16-6-9-5-11-12(7-18-9)19-15-14(11)13(1-3-17-15)20-4-2-10(21)8-20/h1,3,5,7,10,21H,2,4,8H2,(H,17,19)/t10-/m1/s1.
What are the key properties of 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile?
13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(3R)-3-hydroxypyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile is sourced from PubChem (CID 53250872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).