8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

C14H19N5 — CID 53321947

IUPAC8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(c(N4CCCC4)n2n1)CCNCC3
InChIInChI=1S/C14H19N5/c1-2-10-18(9-1)14-11-3-6-15-7-4-12(11)17-13-5-8-16-19(13)14/h5,8,15H,1-4,6-7,9-10H2
InChIKeySZYAPIOMACUCDF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.02
Rot. Bonds1

About 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (PubChem CID 53321947) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
PubChem CID53321947
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESc1cc2nc3c(c(N4CCCC4)n2n1)CCNCC3
InChIInChI=1S/C14H19N5/c1-2-10-18(9-1)14-11-3-6-15-7-4-12(11)17-13-5-8-16-19(13)14/h5,8,15H,1-4,6-7,9-10H2
InChIKeySZYAPIOMACUCDF-UHFFFAOYSA-N
XLogP1.02
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Istisociclib
CID 146502834
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
5-(Piperidin-3-yl)-3-(prop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16046077
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
N-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53321363
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53321632
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
3-Bromo-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53325998
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425

Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The IUPAC name of 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (CID 53321947) is 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.
What is the SMILES notation for 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The canonical SMILES for 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is c1cc2nc3c(c(N4CCCC4)n2n1)CCNCC3.
What is the InChIKey of 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The InChIKey is SZYAPIOMACUCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-10-18(9-1)14-11-3-6-15-7-4-12(11)17-13-5-8-16-19(13)14/h5,8,15H,1-4,6-7,9-10H2.
What are the key properties of 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene has a molecular weight of 257.34 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is sourced from PubChem (CID 53321947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).