7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C13H17N5 — CID 12671192

IUPAC7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC(C)N1CCc2c(C3CC3)nc3ncnn3c21
InChIInChI=1S/C13H17N5/c1-8(2)17-6-5-10-11(9-3-4-9)16-13-14-7-15-18(13)12(10)17/h7-9H,3-6H2,1-2H3
InChIKeySYNZPBRXPAAQJZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.77
Rot. Bonds2

About 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 12671192) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID12671192
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC(C)N1CCc2c(C3CC3)nc3ncnn3c21
InChIInChI=1S/C13H17N5/c1-8(2)17-6-5-10-11(9-3-4-9)16-13-14-7-15-18(13)12(10)17/h7-9H,3-6H2,1-2H3
InChIKeySYNZPBRXPAAQJZ-UHFFFAOYSA-N
XLogP1.77
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 12671192) is 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is CC(C)N1CCc2c(C3CC3)nc3ncnn3c21.
What is the InChIKey of 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is SYNZPBRXPAAQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8(2)17-6-5-10-11(9-3-4-9)16-13-14-7-15-18(13)12(10)17/h7-9H,3-6H2,1-2H3.
What are the key properties of 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 243.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 12671192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).