3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide

C14H21N7O — CID 128519257

IUPAC3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide
SMILESCCn1nncc1C(=O)NC1CCc2nc(C(C)C)nn2C1
InChIInChI=1S/C14H21N7O/c1-4-20-11(7-15-19-20)14(22)16-10-5-6-12-17-13(9(2)3)18-21(12)8-10/h7,9-10H,4-6,8H2,1-3H3,(H,16,22)
InChIKeyBXHKROIXRPBBJA-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.76
Rot. Bonds4

About 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide

3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide (PubChem CID 128519257) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide
PubChem CID128519257
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide
SMILESCCn1nncc1C(=O)NC1CCc2nc(C(C)C)nn2C1
InChIInChI=1S/C14H21N7O/c1-4-20-11(7-15-19-20)14(22)16-10-5-6-12-17-13(9(2)3)18-21(12)8-10/h7,9-10H,4-6,8H2,1-3H3,(H,16,22)
InChIKeyBXHKROIXRPBBJA-UHFFFAOYSA-N
XLogP0.76
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide (CID 128519257) is 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide is CCn1nncc1C(=O)NC1CCc2nc(C(C)C)nn2C1.
What is the InChIKey of 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide?
The InChIKey is BXHKROIXRPBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-4-20-11(7-15-19-20)14(22)16-10-5-6-12-17-13(9(2)3)18-21(12)8-10/h7,9-10H,4-6,8H2,1-3H3,(H,16,22).
What are the key properties of 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide?
3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide is sourced from PubChem (CID 128519257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).