4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide

C14H23N5O2 — CID 66239846

IUPAC4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1COCC1N)c1nnc2n1CCCCC2
InChIInChI=1S/C14H23N5O2/c1-9(16-14(20)10-7-21-8-11(10)15)13-18-17-12-5-3-2-4-6-19(12)13/h9-11H,2-8,15H2,1H3,(H,16,20)
InChIKeyLSBBZWZYUZFSFR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.16
Rot. Bonds3

About 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide

4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide (PubChem CID 66239846) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide
PubChem CID66239846
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1COCC1N)c1nnc2n1CCCCC2
InChIInChI=1S/C14H23N5O2/c1-9(16-14(20)10-7-21-8-11(10)15)13-18-17-12-5-3-2-4-6-19(12)13/h9-11H,2-8,15H2,1H3,(H,16,20)
InChIKeyLSBBZWZYUZFSFR-UHFFFAOYSA-N
XLogP0.16
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide with MolForge

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Related Compounds

1-ethyl-1-(oxolan-3-ylmethyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083695
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083696
5-oxo-1-propan-2-yl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 71897323
[(3S)-oxolan-3-yl]-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methanone
CID 95587846
N-{[7-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}tetrahydro-3-furancarboxamide
CID 45165692
N-{[7-(2-cyclohexylacetyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}tetrahydro-3-furancarboxamide
CID 45170228
N-[[7-[(E)-2-methylbut-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]oxolane-3-carboxamide
CID 45171084
N-{1-[7-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl}tetrahydro-3-furancarboxamide
CID 45174828
3-methoxy-N-[1-[7-(2-methylpropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
CID 45181498
N-{[7-(3-cyclopentylpropanoyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}tetrahydro-3-furancarboxamide
CID 45183746
N-({7-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}methyl)tetrahydro-3-furancarboxamide
CID 45185108
N-{1-[7-(cyclopentylacetyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl}tetrahydro-3-furancarboxamide
CID 45191308

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide (CID 66239846) is 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide is CC(NC(=O)C1COCC1N)c1nnc2n1CCCCC2.
What is the InChIKey of 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is LSBBZWZYUZFSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(16-14(20)10-7-21-8-11(10)15)13-18-17-12-5-3-2-4-6-19(12)13/h9-11H,2-8,15H2,1H3,(H,16,20).
What are the key properties of 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide?
4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66239846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).