N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C17H23N7O — CID 95136196

IUPACN-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)C)nc2ncnn12
InChIInChI=1S/C17H23N7O/c1-11(2)14(8-23-6-5-18-10-23)21-16(25)13-7-15(12(3)4)24-17(22-13)19-9-20-24/h5-7,9-12,14H,8H2,1-4H3,(H,21,25)/t14-/m0/s1
InChIKeyXIOKFQIAWWMMDL-AWEZNQCLSA-N
MW341.42 g/mol
LogP1.90
Rot. Bonds6

About N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 95136196) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID95136196
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)C)nc2ncnn12
InChIInChI=1S/C17H23N7O/c1-11(2)14(8-23-6-5-18-10-23)21-16(25)13-7-15(12(3)4)24-17(22-13)19-9-20-24/h5-7,9-12,14H,8H2,1-4H3,(H,21,25)/t14-/m0/s1
InChIKeyXIOKFQIAWWMMDL-AWEZNQCLSA-N
XLogP1.90
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 95136196) is N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)C)nc2ncnn12.
What is the InChIKey of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XIOKFQIAWWMMDL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11(2)14(8-23-6-5-18-10-23)21-16(25)13-7-15(12(3)4)24-17(22-13)19-9-20-24/h5-7,9-12,14H,8H2,1-4H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 95136196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).