4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine

C11H18N4O — CID 66239483

IUPAC4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine
SMILESNC1COCC1c1nnc2n1CCCCC2
InChIInChI=1S/C11H18N4O/c12-9-7-16-6-8(9)11-14-13-10-4-2-1-3-5-15(10)11/h8-9H,1-7,12H2
InChIKeyDAUUYOFMALSJBR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.45
Rot. Bonds1

About 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine

4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine (PubChem CID 66239483) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine
PubChem CID66239483
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine
SMILESNC1COCC1c1nnc2n1CCCCC2
InChIInChI=1S/C11H18N4O/c12-9-7-16-6-8(9)11-14-13-10-4-2-1-3-5-15(10)11/h8-9H,1-7,12H2
InChIKeyDAUUYOFMALSJBR-UHFFFAOYSA-N
XLogP0.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine with MolForge

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Related Compounds

2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)cyclopentan-1-amine
CID 64818363
[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 81057520
3-(oxolan-3-yl)-6,7,8,9,10,11-hexahydro-5H-[1,2,4]triazolo[4,3-a]azonine
CID 166264357
3-(4-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057348
3-(2-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 59656198
3-(azocan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 114239810
3-(azocan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 114239815
4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)oxolan-3-amine
CID 66240501
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine
CID 63044408
3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057789
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)cyclopropan-1-amine
CID 65465834
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117148490

Frequently Asked Questions

What is the IUPAC name of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine?
The IUPAC name of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine (CID 66239483) is 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine.
What is the SMILES notation for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine?
The canonical SMILES for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine is NC1COCC1c1nnc2n1CCCCC2.
What is the InChIKey of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine?
The InChIKey is DAUUYOFMALSJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-7-16-6-8(9)11-14-13-10-4-2-1-3-5-15(10)11/h8-9H,1-7,12H2.
What are the key properties of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine?
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)oxolan-3-amine is sourced from PubChem (CID 66239483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).