N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

C16H25N5O — CID 95338999

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESCCN(C(=O)CN[C@@H]1CCc2ncnn2C1)C1=CCCCC1
InChIInChI=1S/C16H25N5O/c1-2-20(14-6-4-3-5-7-14)16(22)10-17-13-8-9-15-18-12-19-21(15)11-13/h6,12-13,17H,2-5,7-11H2,1H3/t13-/m1/s1
InChIKeyHMAULVGBWMVXFM-CYBMUJFWSA-N
MW303.41 g/mol
LogP1.49
Rot. Bonds5

About N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (PubChem CID 95338999) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
PubChem CID95338999
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESCCN(C(=O)CN[C@@H]1CCc2ncnn2C1)C1=CCCCC1
InChIInChI=1S/C16H25N5O/c1-2-20(14-6-4-3-5-7-14)16(22)10-17-13-8-9-15-18-12-19-21(15)11-13/h6,12-13,17H,2-5,7-11H2,1H3/t13-/m1/s1
InChIKeyHMAULVGBWMVXFM-CYBMUJFWSA-N
XLogP1.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (CID 95338999) is N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is CCN(C(=O)CN[C@@H]1CCc2ncnn2C1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The InChIKey is HMAULVGBWMVXFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O/c1-2-20(14-6-4-3-5-7-14)16(22)10-17-13-8-9-15-18-12-19-21(15)11-13/h6,12-13,17H,2-5,7-11H2,1H3/t13-/m1/s1.
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is sourced from PubChem (CID 95338999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).