2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide

C15H22N6O — CID 133421515

IUPAC2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide
SMILESCCc1cc(NC2CCCCCC2C(N)=O)n2ncnc2n1
InChIInChI=1S/C15H22N6O/c1-2-10-8-13(21-15(19-10)17-9-18-21)20-12-7-5-3-4-6-11(12)14(16)22/h8-9,11-12,20H,2-7H2,1H3,(H2,16,22)
InChIKeyDULVIERLAOVCLG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds4

About 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide

2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide (PubChem CID 133421515) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide
PubChem CID133421515
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide
SMILESCCc1cc(NC2CCCCCC2C(N)=O)n2ncnc2n1
InChIInChI=1S/C15H22N6O/c1-2-10-8-13(21-15(19-10)17-9-18-21)20-12-7-5-3-4-6-11(12)14(16)22/h8-9,11-12,20H,2-7H2,1H3,(H2,16,22)
InChIKeyDULVIERLAOVCLG-UHFFFAOYSA-N
XLogP1.53
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide?
The IUPAC name of 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide (CID 133421515) is 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide?
The canonical SMILES for 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide is CCc1cc(NC2CCCCCC2C(N)=O)n2ncnc2n1.
What is the InChIKey of 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide?
The InChIKey is DULVIERLAOVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-10-8-13(21-15(19-10)17-9-18-21)20-12-7-5-3-4-6-11(12)14(16)22/h8-9,11-12,20H,2-7H2,1H3,(H2,16,22).
What are the key properties of 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide?
2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cycloheptane-1-carboxamide is sourced from PubChem (CID 133421515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).