3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C13H19N7 — CID 134133542

IUPAC3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESC1CCC(c2nnc3nnc(N4CCCC4)nn23)CC1
InChIInChI=1S/C13H19N7/c1-2-6-10(7-3-1)11-14-15-12-16-17-13(18-20(11)12)19-8-4-5-9-19/h10H,1-9H2
InChIKeyQTQNDCMYZPVGLB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.56
Rot. Bonds2

About 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134133542) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134133542
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESC1CCC(c2nnc3nnc(N4CCCC4)nn23)CC1
InChIInChI=1S/C13H19N7/c1-2-6-10(7-3-1)11-14-15-12-16-17-13(18-20(11)12)19-8-4-5-9-19/h10H,1-9H2
InChIKeyQTQNDCMYZPVGLB-UHFFFAOYSA-N
XLogP1.56
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-Propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134147161
3-Pentyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134153728
3-(Cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136580115
4-(2,3-Dimethylbutyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;6-propan-2-yl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 177136530
1-(5-Cyclohexyl-4-methyl-1,2,4-triazol-3-yl)piperidine
CID 140111220
1-(5-Cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 140111422
2,8-Dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;3,8-dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 158002605
7-methyl-3-[1-(6-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 166650358
1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen
CID 168893899
ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 168894350
2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine
CID 169845684
3-Methyl-7-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 170928414

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134133542) is 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is C1CCC(c2nnc3nnc(N4CCCC4)nn23)CC1.
What is the InChIKey of 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is QTQNDCMYZPVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-2-6-10(7-3-1)11-14-15-12-16-17-13(18-20(11)12)19-8-4-5-9-19/h10H,1-9H2.
What are the key properties of 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 273.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134133542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).