ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C15H29N3 — CID 168894350

IUPACethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CCC[C@@H](CC)c1nnc2n1CCC(C)C2
InChIInChI=1S/C13H23N3.C2H6/c1-4-6-11(5-2)13-15-14-12-9-10(3)7-8-16(12)13;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10?,11-;/m1./s1
InChIKeyBIAATNBLWHYAEH-PSDUUTOMSA-N
MW251.42 g/mol
LogP4.18
Rot. Bonds4

About ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 168894350) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID168894350
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Nameethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CCC[C@@H](CC)c1nnc2n1CCC(C)C2
InChIInChI=1S/C13H23N3.C2H6/c1-4-6-11(5-2)13-15-14-12-9-10(3)7-8-16(12)13;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10?,11-;/m1./s1
InChIKeyBIAATNBLWHYAEH-PSDUUTOMSA-N
XLogP4.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
3-Cyclohexyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134133542
3-(2-cyclohexylethyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 136196502
4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
CID 75355416
3-Chloro-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyridine
CID 77520207
(3-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-yl)methanamine
CID 83678785
(3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-yl)methanamine dihydrochloride
CID 137942666
7-(Cyclohexylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 53193669
3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559793

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 168894350) is ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC.CCC[C@@H](CC)c1nnc2n1CCC(C)C2.
What is the InChIKey of ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BIAATNBLWHYAEH-PSDUUTOMSA-N. The full InChI is InChI=1S/C13H23N3.C2H6/c1-4-6-11(5-2)13-15-14-12-9-10(3)7-8-16(12)13;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10?,11-;/m1./s1.
What are the key properties of ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 251.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(3R)-hexan-3-yl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 168894350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).